methyl 4-chloranyl-3-[2-(4-methylphenyl)sulfanylpropanoylamino]benzoate

Systemtic Name: methyl 4-chloranyl-3-[2-(4-methylphenyl)sulfanylpropanoylamino]benzoate Openeye Name: methyl 4-chloro-3-[2-(p-tolylsulfanyl)propanoylamino]benzoate CAS Name: 4-chloro-3-[[2-[(4-methylphenyl)thio]-1-oxopropyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-chloro-3-[2-(4-methylphenyl)sulfanylpropanoylamino]benzoate Traditional Name: 4-chloro-3-[2-(p-tolylthio)propanoylamino]benzoic acid methyl ester Formula: C18H18ClNO3S MolecularWeight: 363.85842

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC(C)C(=O)NC2=C(C=CC(=C2)C(=O)OC)Cl

Isomeric SMILES

CC1=CC=C(C=C1)SC(C)C(=O)NC2=C(C=CC(=C2)C(=O)OC)Cl

InChI

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