![2-[(6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carbonyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester](/api/spectrum/CAAfqX6gnKM/structure.png?h=300&w=458 "2-[(6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carbonyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester")
| SpectraBase Compound ID | 6TmU9Po6UHK |
|---|---|
| InChI | InChI=1S/C21H25NO3S2/c1-3-25-21(24)18-14-6-4-5-7-16(14)27-20(18)22-19(23)15-11-26-17-10-12(2)8-9-13(15)17/h11-12H,3-10H2,1-2H3,(H,22,23) |
| InChIKey | GPAUXIZQAITYKU-UHFFFAOYSA-N |
| Mol Weight | 403.56 g/mol |
| Molecular Formula | C21H25NO3S2 |
| Exact Mass | 403.127586 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | CAAfqX6gnKM |
|---|---|
| Name | 2-[(6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carbonyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C21H25NO3S2 |
| InChI | InChI=1S/C21H25NO3S2/c1-3-25-21(24)18-14-6-4-5-7-16(14)27-20(18)22-19(23)15-11-26-17-10-12(2)8-9-13(15)17/h11-12H,3-10H2,1-2H3,(H,22,23) |
| InChIKey | GPAUXIZQAITYKU-UHFFFAOYSA-N |
| Molecular Weight | 403.555 g/mol |
| SMILES | N(C(c1c2c(CC(C)CC2)sc1)=O)c1c(c2CCCCc2s1)C(=O)OCC |
| SPLASH | splash10-004i-3900100000-b6dd47e2c815eaf938ea |
| Synonyms | 2-[[(6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-oxomethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester Ethyl 2-[(6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Ethyl 2-[(6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Ethyl 2-[(6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carbonyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate |
| Wiley ID | 1442894 |