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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCC1=CC=CC=C1)NC2CC(=O)NC3=CC=CC=C3S2

Isomeric SMILES

CCOC(=O)C(CCC1=CC=CC=C1)NC2CC(=O)NC3=CC=CC=C3S2

InChI

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