ethyl 2-(1,2-benzothiazepin-3-ylamino)-4-phenyl-butanoate

Systemtic Name: ethyl 2-(1,2-benzothiazepin-3-ylamino)-4-phenyl-butanoate Openeye Name: ethyl 2-(1,2-benzothiazepin-3-ylamino)-4-phenyl-butanoate CAS Name: 2-(1,2-benzothiazepin-3-ylamino)-4-phenylbutanoic acid ethyl ester IUPAC Name: ethyl 2-(1,2-benzothiazepin-3-ylamino)-4-phenylbutanoate Traditional Name: 2-(1,2-benzothiazepin-3-ylamino)-4-phenyl-butyric acid ethyl ester Formula: C21H22N2O2S MolecularWeight: 366.47658

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCC1=CC=CC=C1)NC2=NSC3=CC=CC=C3C=C2

Isomeric SMILES

CCOC(=O)C(CCC1=CC=CC=C1)NC2=NSC3=CC=CC=C3C=C2

InChI

InChI=1S/C21H22N2O2S/c1-2-25-21(24)18(14-12-16-8-4-3-5-9-16)22-20-15-13-17-10-6-7-11-19(17)26-23-20/h3-11,13,15,18H,2,12,14H2,1H3,(H,22,23)