methyl 2-chloranyl-5-[2-[(2-methylphenyl)methylsulfanyl]ethanoylamino]benzoate

Systemtic Name: methyl 2-chloranyl-5-[2-[(2-methylphenyl)methylsulfanyl]ethanoylamino]benzoate Openeye Name: methyl 2-chloro-5-[[2-(o-tolylmethylsulfanyl)acetyl]amino]benzoate CAS Name: 2-chloro-5-[[2-[(2-methylphenyl)methylthio]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-chloro-5-[[2-[(2-methylphenyl)methylsulfanyl]acetyl]amino]benzoate Traditional Name: 2-chloro-5-[[2-[(2-methylbenzyl)thio]acetyl]amino]benzoic acid methyl ester Formula: C18H18ClNO3S MolecularWeight: 363.85842

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CSCC(=O)NC2=CC(=C(C=C2)Cl)C(=O)OC

Isomeric SMILES

CC1=CC=CC=C1CSCC(=O)NC2=CC(=C(C=C2)Cl)C(=O)OC

InChI

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