methyl 2-chloranyl-5-[3-(4-methylphenyl)sulfanylpropanoylamino]benzoate

Systemtic Name: methyl 2-chloranyl-5-[3-(4-methylphenyl)sulfanylpropanoylamino]benzoate Openeye Name: methyl 2-chloro-5-[3-(p-tolylsulfanyl)propanoylamino]benzoate CAS Name: 2-chloro-5-[[3-[(4-methylphenyl)thio]-1-oxopropyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-chloro-5-[3-(4-methylphenyl)sulfanylpropanoylamino]benzoate Traditional Name: 2-chloro-5-[3-(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)SCCC(=O)NC2=CC(=C(C=C2)Cl)C(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C18H18ClNO3S/c1-12-3-6-14(7-4-12)24-10-9-17(21)20-13-5-8-16(19)15(11-13)18(22)23-2/h3-8,11H,9-10H2,1-2H3,(H,20,21)