| SpectraBase Spectrum ID |
1q6qocMKA6h |
| Name |
Benzoic acid, 3-[[[2-[[3,4,5,6,7,8-hexahydro-4-oxo-3-(phenylmethyl)[1]benzothieno[2,3-d]pyrimidin-2-yl]thio]acetyl]amino]methyl]-4-methyl-, ethyl ester |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C30H31N3O4S2 |
| InChI |
InChI=1S/C30H31N3O4S2/c1-3-37-29(36)21-14-13-19(2)22(15-21)16-31-25(34)18-38-30-32-27-26(23-11-7-8-12-24(23)39-27)28(35)33(30)17-20-9-5-4-6-10-20/h4-6,9-10,13-15H,3,7-8,11-12,16-18H2,1-2H3,(H,31,34) |
| InChIKey |
JAOYZWRLLQVBQZ-UHFFFAOYSA-N |
| Molecular Weight |
561.715 g/mol |
| SMILES |
N(C(CSC1=Nc2sc3c(c2C(N1Cc1ccccc1)=O)CCCC3)=O)Cc1cc(C(=O)OCC)ccc1C |
| SPLASH |
splash10-002f-9832000000-e59f41b790aa07f8d9d9 |
| Source of Spectrum |
IY-2-5043-6 |
| Synonyms |
Ethyl 3-{[2-({4-benzyl-3-oxo-8-thia-4,6-diazatricyclo[7.4.0.0(2,7)]trideca-1(9),2(7),5-trien-5-yl}sulfanyl)acetamido]methyl}-4-methylbenzoate
4-Methyl-3-[[[1-oxo-2-[[4-oxo-3-(phenylmethyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]thio]ethyl]amino]methyl]benzoic acid ethyl ester
Ethyl 3-[[[2-[(3-benzyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]acetyl]amino]methyl]-4-methylbenzoate
Ethyl 3-[[[2-[(3-benzyl-4-oxo-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-2-yl)sulfanyl]acetyl]amino]methyl]-4-methyl-benzoate
Ethyl 4-methyl-3-[[2-[[4-oxidanylidene-3-(phenylmethyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]sulfanyl]ethanoylamino]methyl]benzoate |
| Wiley ID |
1658419 |
![Benzoic acid, 3-[[[2-[[3,4,5,6,7,8-hexahydro-4-oxo-3-(phenylmethyl)[1]benzothieno[2,3-d]pyrimidin-2-yl]thio]acetyl]amino]methyl]-4-methyl-, ethyl ester](/api/spectrum/1q6qocMKA6h/structure.png?h=300&w=458 "Benzoic acid, 3-[[[2-[[3,4,5,6,7,8-hexahydro-4-oxo-3-(phenylmethyl)[1]benzothieno[2,3-d]pyrimidin-2-yl]thio]acetyl]amino]methyl]-4-methyl-, ethyl ester")
