ethyl 3-methyl-4-(2-phenylsulfanylethanoylamino)benzoate

Systemtic Name: ethyl 3-methyl-4-(2-phenylsulfanylethanoylamino)benzoate Openeye Name: ethyl 3-methyl-4-[(2-phenylsulfanylacetyl)amino]benzoate CAS Name: 3-methyl-4-[[1-oxo-2-(phenylthio)ethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-methyl-4-[(2-phenylsulfanylacetyl)amino]benzoate Traditional Name: 3-methyl-4-[[2-(phenylthio)acetyl]amino]benzoic acid ethyl ester Formula: C18H19NO3S MolecularWeight: 329.41336

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(C=C1)NC(=O)CSC2=CC=CC=C2)C

Isomeric SMILES

CCOC(=O)C1=CC(=C(C=C1)NC(=O)CSC2=CC=CC=C2)C

InChI

InChI=1S/C18H19NO3S/c1-3-22-18(21)14-9-10-16(13(2)11-14)19-17(20)12-23-15-7-5-4-6-8-15/h4-11H,3,12H2,1-2H3,(H,19,20)