methyl (2S)-2-[(4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepin-7-yl)carbonylamino]-3-phenyl-propanoate

Systemtic Name: methyl (2S)-2-[(4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepin-7-yl)carbonylamino]-3-phenyl-propanoate Openeye Name: methyl (2S)-2-[(4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carbonyl)amino]-3-phenyl-propanoate CAS Name: (2S)-2-[[oxo-(4-oxo-3,5-dihydro-2H-1,5-benzothiazepin-7-yl)methyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl (2S)-2-[(4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carbonyl)amino]-3-phenylpropanoate Traditional Name: (2S)-2-[(4-keto-3,5-dihydro-2H-1,5-benzothiazepine-7-carbonyl)amino]-3-phenyl-propionic acid methyl ester Formula: C20H20N2O4S MolecularWeight: 384.4488

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=CC=C1)NC(=O)C2=CC3=C(C=C2)SCCC(=O)N3

Isomeric SMILES

COC(=O)[C@H](CC1=CC=CC=C1)NC(=O)C2=CC3=C(C=C2)SCCC(=O)N3

InChI

InChI=1S/C20H20N2O4S/c1-26-20(25)16(11-13-5-3-2-4-6-13)22-19(24)14-7-8-17-15(12-14)21-18(23)9-10-27-17/h2-8,12,16H,9-11H2,1H3,(H,21,23)(H,22,24)/t16-/m0/s1