| SpectraBase Spectrum ID |
6jcdtg7lQWh |
| Name |
3-Cyano-2,3-dihydro-2-(p-nitrophenyl)-1,5-benzothiazepin-4(5H)-one |
| Alternate Name(s) |
(2R,3S)-3-Cyano-2,3-dihydro-2-(4'-nitrophenyl)-1,5-benzothiazepin-4(5H)-one
(2R,3S)-3-Cyano-2,3-dihydro-2-(p-nitrophenyl)-1,5-benzothiazepin-4(5H)-one
2-(4-nitrophenyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-3-carbonitrile
3-Cyano-2,3-dihydro-2-(4'-nitrophenyl)-1,5-benzothiazepin-4(5H)-one
(2R,3S)-2-(4-nitrophenyl)-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-3-carbonitrile
(2R,3S)-2-(4-nitrophenyl)-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-3-carbonitrile |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C16H11N3O3S |
| InChI |
InChI=1S/C16H11N3O3S/c17-9-12-15(10-5-7-11(8-6-10)19(21)22)23-14-4-2-1-3-13(14)18-16(12)20/h1-8,12,15H,(H,18,20)/t12-,15+/m1/s1 |
| InChIKey |
BALMCFLTOGVQIX-DOMZBBRYSA-N |
| Molecular Weight |
325.342 g/mol |
| SMILES |
N1c2ccccc2S[C@]([C@](C1=O)(C#N)[H])(c1ccc(N(=O)=O)cc1)[H] |
| SPLASH |
splash10-08fr-0190000000-13ef1f2ed8248bd6745f |
| Source of Spectrum |
SK-32-1089-3 |
| Wiley ID |
1548645 |
