[2-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-oxidanylidene-ethyl] 2-benzamido-2-phenyl-ethanoate

Systemtic Name: [2-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-oxidanylidene-ethyl] 2-benzamido-2-phenyl-ethanoate Openeye Name: [2-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-oxo-ethyl] 2-benzamido-2-phenyl-acetate CAS Name: 2-benzamido-2-phenylacetic acid [2-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-oxoethyl] ester IUPAC Name: [2-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-oxoethyl] 2-benzamido-2-phenylacetate Traditional Name: 2-benzamido-2-phenyl-acetic acid [2-keto-2-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)ethyl] ester Formula: C27H26N2O4S MolecularWeight: 474.57134

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(C2=CC=CC=C2S1)C(=O)COC(=O)C(C3=CC=CC=C3)NC(=O)C4=CC=CC=C4

Isomeric SMILES

CC1CCN(C2=CC=CC=C2S1)C(=O)COC(=O)C(C3=CC=CC=C3)NC(=O)C4=CC=CC=C4

InChI

InChI=1S/C27H26N2O4S/c1-19-16-17-29(22-14-8-9-15-23(22)34-19)24(30)18-33-27(32)25(20-10-4-2-5-11-20)28-26(31)21-12-6-3-7-13-21/h2-15,19,25H,16-18H2,1H3,(H,28,31)