[1-[(4-acetamidophenyl)amino]-1-oxidanylidene-propan-2-yl] 3-phenylsulfanylpropanoate

Systemtic Name: [1-[(4-acetamidophenyl)amino]-1-oxidanylidene-propan-2-yl] 3-phenylsulfanylpropanoate Openeye Name: [2-(4-acetamidoanilino)-1-methyl-2-oxo-ethyl] 3-phenylsulfanylpropanoate CAS Name: 3-(phenylthio)propanoic acid [1-(4-acetamidoanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-acetamidoanilino)-1-oxopropan-2-yl] 3-phenylsulfanylpropanoate Traditional Name: 3-(phenylthio)propionic acid [2-(4-acetamidoanilino)-2-keto-1-methyl-ethyl] ester Formula: C20H22N2O4S MolecularWeight: 386.46468

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)NC(=O)C)OC(=O)CCSC2=CC=CC=C2

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)NC(=O)C)OC(=O)CCSC2=CC=CC=C2

InChI

InChI=1S/C20H22N2O4S/c1-14(26-19(24)12-13-27-18-6-4-3-5-7-18)20(25)22-17-10-8-16(9-11-17)21-15(2)23/h3-11,14H,12-13H2,1-2H3,(H,21,23)(H,22,25)