ethyl 4-[2-[3-(2-phenylethanoylamino)phenyl]sulfanylbutanoylamino]benzoate

Systemtic Name: ethyl 4-[2-[3-(2-phenylethanoylamino)phenyl]sulfanylbutanoylamino]benzoate Openeye Name: ethyl 4-[2-[3-[(2-phenylacetyl)amino]phenyl]sulfanylbutanoylamino]benzoate CAS Name: 4-[[1-oxo-2-[[3-[(1-oxo-2-phenylethyl)amino]phenyl]thio]butyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[2-[3-[(2-phenylacetyl)amino]phenyl]sulfanylbutanoylamino]benzoate Traditional Name: 4-[2-[[3-[(2-phenylacetyl)amino]phenyl]thio]butanoylamino]benzoic acid ethyl ester Formula: C27H28N2O4S MolecularWeight: 476.58722

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=C(C=C1)C(=O)OCC)SC2=CC=CC(=C2)NC(=O)CC3=CC=CC=C3

Isomeric SMILES

CCC(C(=O)NC1=CC=C(C=C1)C(=O)OCC)SC2=CC=CC(=C2)NC(=O)CC3=CC=CC=C3

InChI

InChI=1S/C27H28N2O4S/c1-3-24(26(31)29-21-15-13-20(14-16-21)27(32)33-4-2)34-23-12-8-11-22(18-23)28-25(30)17-19-9-6-5-7-10-19/h5-16,18,24H,3-4,17H2,1-2H3,(H,28,30)(H,29,31)