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

Systemtic Name: [(2S,3S)-4-oxidanylidene-2-thiophen-3-yl-3,5-dihydro-2H-1,5-benzothiazepin-3-yl] ethanoate Openeye Name: [(2S,3S)-4-oxo-2-(3-thienyl)-3,5-dihydro-2H-1,5-benzothiazepin-3-yl] acetate CAS Name: acetic acid [(2S,3S)-4-oxo-2-(3-thiophenyl)-3,5-dihydro-2H-1,5-benzothiazepin-3-yl] ester IUPAC Name: [(2S,3S)-4-oxo-2-thiophen-3-yl-3,5-dihydro-2H-1,5-benzothiazepin-3-yl] acetate Traditional Name: acetic acid [(2S,3S)-4-keto-2-(3-thienyl)-3,5-dihydro-2H-1,5-benzothiazepin-3-yl] ester Formula: C15H13NO3S2 MolecularWeight: 319.39862

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1C(SC2=CC=CC=C2NC1=O)C3=CSC=C3

Isomeric SMILES

CC(=O)O[C@@H]1[C@@H](SC2=CC=CC=C2NC1=O)C3=CSC=C3

InChI

InChI=1S/C15H13NO3S2/c1-9(17)19-13-14(10-6-7-20-8-10)21-12-5-3-2-4-11(12)16-15(13)18/h2-8,13-14H,1H3,(H,16,18)/t13-,14+/m1/s1