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

Systemtic Name: ethyl 2-[[5-(2-ethoxy-2-oxidanylidene-ethyl)-4-oxidanylidene-2,3-dihydro-1,5-benzothiazepin-3-yl]amino]-4-phenyl-butanoate Openeye Name: ethyl 2-[[5-(2-ethoxy-2-oxo-ethyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-3-yl]amino]-4-phenyl-butanoate CAS Name: 2-[[5-(2-ethoxy-2-oxoethyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-3-yl]amino]-4-phenylbutanoic acid ethyl ester IUPAC Name: ethyl 2-[[5-(2-ethoxy-2-oxoethyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-3-yl]amino]-4-phenylbutanoate Traditional Name: 2-[[5-(2-ethoxy-2-keto-ethyl)-4-keto-2,3-dihydro-1,5-benzothiazepin-3-yl]amino]-4-phenyl-butyric acid ethyl ester Formula: C25H30N2O5S MolecularWeight: 470.5811

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C2=CC=CC=C2SCC(C1=O)NC(CCC3=CC=CC=C3)C(=O)OCC

Isomeric SMILES

CCOC(=O)CN1C2=CC=CC=C2SCC(C1=O)NC(CCC3=CC=CC=C3)C(=O)OCC

InChI

InChI=1S/C25H30N2O5S/c1-3-31-23(28)16-27-21-12-8-9-13-22(21)33-17-20(24(27)29)26-19(25(30)32-4-2)15-14-18-10-6-5-7-11-18/h5-13,19-20,26H,3-4,14-17H2,1-2H3