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

Systemtic Name: ethyl 4-[[5-(2-methoxy-2-oxidanylidene-ethyl)-4-oxidanylidene-2,3-dihydro-1,5-benzothiazepin-2-yl]amino]-2-phenyl-butanoate Openeye Name: ethyl 4-[[5-(2-methoxy-2-oxo-ethyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-2-yl]amino]-2-phenyl-butanoate CAS Name: 4-[[5-(2-methoxy-2-oxoethyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-2-yl]amino]-2-phenylbutanoic acid ethyl ester IUPAC Name: ethyl 4-[[5-(2-methoxy-2-oxoethyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-2-yl]amino]-2-phenylbutanoate Traditional Name: 4-[[4-keto-5-(2-keto-2-methoxy-ethyl)-2,3-dihydro-1,5-benzothiazepin-2-yl]amino]-2-phenyl-butyric acid ethyl ester Formula: C24H28N2O5S MolecularWeight: 456.55452

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCNC1CC(=O)N(C2=CC=CC=C2S1)CC(=O)OC)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C(CCNC1CC(=O)N(C2=CC=CC=C2S1)CC(=O)OC)C3=CC=CC=C3

InChI

InChI=1S/C24H28N2O5S/c1-3-31-24(29)18(17-9-5-4-6-10-17)13-14-25-21-15-22(27)26(16-23(28)30-2)19-11-7-8-12-20(19)32-21/h4-12,18,21,25H,3,13-16H2,1-2H3