ethyl 4-[[2-[3-[(2-methylphenyl)carbonylamino]phenyl]sulfanyl-2-phenyl-ethanoyl]amino]benzoate

Systemtic Name: ethyl 4-[[2-[3-[(2-methylphenyl)carbonylamino]phenyl]sulfanyl-2-phenyl-ethanoyl]amino]benzoate Openeye Name: ethyl 4-[[2-[3-[(2-methylbenzoyl)amino]phenyl]sulfanyl-2-phenyl-acetyl]amino]benzoate CAS Name: 4-[[2-[[3-[[(2-methylphenyl)-oxomethyl]amino]phenyl]thio]-1-oxo-2-phenylethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-[3-[(2-methylbenzoyl)amino]phenyl]sulfanyl-2-phenylacetyl]amino]benzoate Traditional Name: 4-[[2-[[3-(o-toluoylamino)phenyl]thio]-2-phenyl-acetyl]amino]benzoic acid ethyl ester Formula: C31H28N2O4S MolecularWeight: 524.63002

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)C(C2=CC=CC=C2)SC3=CC=CC(=C3)NC(=O)C4=CC=CC=C4C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)C(C2=CC=CC=C2)SC3=CC=CC(=C3)NC(=O)C4=CC=CC=C4C

InChI

InChI=1S/C31H28N2O4S/c1-3-37-31(36)23-16-18-24(19-17-23)32-30(35)28(22-11-5-4-6-12-22)38-26-14-9-13-25(20-26)33-29(34)27-15-8-7-10-21(27)2/h4-20,28H,3H2,1-2H3,(H,32,35)(H,33,34)