[(2S,3S)-5-ethanoyl-4-oxidanylidene-2-thiophen-3-yl-2,3-dihydro-1,5-benzothiazepin-3-yl] ethanoate

Systemtic Name: [(2S,3S)-5-ethanoyl-4-oxidanylidene-2-thiophen-3-yl-2,3-dihydro-1,5-benzothiazepin-3-yl] ethanoate Openeye Name: [(2S,3S)-5-acetyl-4-oxo-2-(3-thienyl)-2,3-dihydro-1,5-benzothiazepin-3-yl] acetate CAS Name: acetic acid [(2S,3S)-5-acetyl-4-oxo-2-(3-thiophenyl)-2,3-dihydro-1,5-benzothiazepin-3-yl] ester IUPAC Name: [(2S,3S)-5-acetyl-4-oxo-2-thiophen-3-yl-2,3-dihydro-1,5-benzothiazepin-3-yl] acetate Traditional Name: acetic acid [(2S,3S)-5-acetyl-4-keto-2-(3-thienyl)-2,3-dihydro-1,5-benzothiazepin-3-yl] ester Formula: C17H15NO4S2 MolecularWeight: 361.4353

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C2=CC=CC=C2SC(C(C1=O)OC(=O)C)C3=CSC=C3

Isomeric SMILES

CC(=O)N1C2=CC=CC=C2S[C@H]([C@H](C1=O)OC(=O)C)C3=CSC=C3

InChI

InChI=1S/C17H15NO4S2/c1-10(19)18-13-5-3-4-6-14(13)24-16(12-7-8-23-9-12)15(17(18)21)22-11(2)20/h3-9,15-16H,1-2H3/t15-,16+/m1/s1