[1-[(4-acetamidophenyl)amino]-1-oxidanylidene-propan-2-yl] 4-(4-chlorophenyl)sulfanylbutanoate

Systemtic Name: [1-[(4-acetamidophenyl)amino]-1-oxidanylidene-propan-2-yl] 4-(4-chlorophenyl)sulfanylbutanoate Openeye Name: [2-(4-acetamidoanilino)-1-methyl-2-oxo-ethyl] 4-(4-chlorophenyl)sulfanylbutanoate CAS Name: 4-[(4-chlorophenyl)thio]butanoic acid [1-(4-acetamidoanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-acetamidoanilino)-1-oxopropan-2-yl] 4-(4-chlorophenyl)sulfanylbutanoate Traditional Name: 4-[(4-chlorophenyl)thio]butyric acid [2-(4-acetamidoanilino)-2-keto-1-methyl-ethyl] ester Formula: C21H23ClN2O4S MolecularWeight: 434.93632

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)NC(=O)C)OC(=O)CCCSC2=CC=C(C=C2)Cl

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)NC(=O)C)OC(=O)CCCSC2=CC=C(C=C2)Cl

InChI

InChI=1S/C21H23ClN2O4S/c1-14(21(27)24-18-9-7-17(8-10-18)23-15(2)25)28-20(26)4-3-13-29-19-11-5-16(22)6-12-19/h5-12,14H,3-4,13H2,1-2H3,(H,23,25)(H,24,27)