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

Systemtic Name: ethyl 2-[[4-oxidanylidene-5-(2-oxidanylidene-2-phenylmethoxy-ethyl)-2,3-dihydro-1,5-benzothiazepin-2-yl]amino]-4-phenyl-butanoate Openeye Name: ethyl 2-[[5-(2-benzyloxy-2-oxo-ethyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-2-yl]amino]-4-phenyl-butanoate CAS Name: 2-[[4-oxo-5-(2-oxo-2-phenylmethoxyethyl)-2,3-dihydro-1,5-benzothiazepin-2-yl]amino]-4-phenylbutanoic acid ethyl ester IUPAC Name: ethyl 2-[[4-oxo-5-(2-oxo-2-phenylmethoxyethyl)-2,3-dihydro-1,5-benzothiazepin-2-yl]amino]-4-phenylbutanoate Traditional Name: 2-[[5-(2-benzoxy-2-keto-ethyl)-4-keto-2,3-dihydro-1,5-benzothiazepin-2-yl]amino]-4-phenyl-butyric acid ethyl ester Formula: C30H32N2O5S MolecularWeight: 532.65048

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCC1=CC=CC=C1)NC2CC(=O)N(C3=CC=CC=C3S2)CC(=O)OCC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C(CCC1=CC=CC=C1)NC2CC(=O)N(C3=CC=CC=C3S2)CC(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C30H32N2O5S/c1-2-36-30(35)24(18-17-22-11-5-3-6-12-22)31-27-19-28(33)32(25-15-9-10-16-26(25)38-27)20-29(34)37-21-23-13-7-4-8-14-23/h3-16,24,27,31H,2,17-21H2,1H3