methyl 3-[2-(4-chlorophenyl)sulfanylpropanoylamino]-4-methyl-benzoate

Systemtic Name: methyl 3-[2-(4-chlorophenyl)sulfanylpropanoylamino]-4-methyl-benzoate Openeye Name: methyl 3-[2-(4-chlorophenyl)sulfanylpropanoylamino]-4-methyl-benzoate CAS Name: 3-[[2-[(4-chlorophenyl)thio]-1-oxopropyl]amino]-4-methylbenzoic acid methyl ester IUPAC Name: methyl 3-[2-(4-chlorophenyl)sulfanylpropanoylamino]-4-methylbenzoate Traditional Name: 3-[2-[(4-chlorophenyl)thio]propanoylamino]-4-methyl-benzoic acid methyl ester Formula: C18H18ClNO3S MolecularWeight: 363.85842

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)C(C)SC2=CC=C(C=C2)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)C(C)SC2=CC=C(C=C2)Cl

InChI

InChI=1S/C18H18ClNO3S/c1-11-4-5-13(18(22)23-3)10-16(11)20-17(21)12(2)24-15-8-6-14(19)7-9-15/h4-10,12H,1-3H3,(H,20,21)