N-[(2S)-2-(4-nitrophenyl)-2-oxidanyl-ethyl]-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide

Systemtic Name: N-[(2S)-2-(4-nitrophenyl)-2-oxidanyl-ethyl]-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Openeye Name: N-[(2S)-2-hydroxy-2-(4-nitrophenyl)ethyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide CAS Name: N-[(2S)-2-hydroxy-2-(4-nitrophenyl)ethyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide IUPAC Name: N-[(2S)-2-hydroxy-2-(4-nitrophenyl)ethyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Traditional Name: N-[(2S)-2-hydroxy-2-(4-nitrophenyl)ethyl]-4-keto-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Formula: C18H17N3O5S MolecularWeight: 387.40968

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC2=C(C=C(C=C2)C(=O)NCC(C3=CC=C(C=C3)[N+](=O)[O-])O)NC1=O

Isomeric SMILES

C1CSC2=C(C=C(C=C2)C(=O)NC[C@H](C3=CC=C(C=C3)[N+](=O)[O-])O)NC1=O

InChI

InChI=1S/C18H17N3O5S/c22-15(11-1-4-13(5-2-11)21(25)26)10-19-18(24)12-3-6-16-14(9-12)20-17(23)7-8-27-16/h1-6,9,15,22H,7-8,10H2,(H,19,24)(H,20,23)/t15-/m1/s1