ethyl 4-[(4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepin-2-yl)amino]-2-phenyl-butanoate

Systemtic Name: ethyl 4-[(4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepin-2-yl)amino]-2-phenyl-butanoate Openeye Name: ethyl 4-[(4-oxo-3,5-dihydro-2H-1,5-benzothiazepin-2-yl)amino]-2-phenyl-butanoate CAS Name: 4-[(4-oxo-3,5-dihydro-2H-1,5-benzothiazepin-2-yl)amino]-2-phenylbutanoic acid ethyl ester IUPAC Name: ethyl 4-[(4-oxo-3,5-dihydro-2H-1,5-benzothiazepin-2-yl)amino]-2-phenylbutanoate Traditional Name: 4-[(4-keto-3,5-dihydro-2H-1,5-benzothiazepin-2-yl)amino]-2-phenyl-butyric acid ethyl ester Formula: C21H24N2O3S MolecularWeight: 384.49186

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCNC1CC(=O)NC2=CC=CC=C2S1)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C(CCNC1CC(=O)NC2=CC=CC=C2S1)C3=CC=CC=C3

InChI

InChI=1S/C21H24N2O3S/c1-2-26-21(25)16(15-8-4-3-5-9-15)12-13-22-20-14-19(24)23-17-10-6-7-11-18(17)27-20/h3-11,16,20,22H,2,12-14H2,1H3,(H,23,24)