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

Systemtic Name: methyl 4-chloranyl-3-[2-[(4-methylphenyl)methylsulfanyl]ethanoylamino]benzoate Openeye Name: methyl 4-chloro-3-[[2-(p-tolylmethylsulfanyl)acetyl]amino]benzoate CAS Name: 4-chloro-3-[[2-[(4-methylphenyl)methylthio]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-chloro-3-[[2-[(4-methylphenyl)methylsulfanyl]acetyl]amino]benzoate Traditional Name: 4-chloro-3-[[2-[(4-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=C(C=C1)CSCC(=O)NC2=C(C=CC(=C2)C(=O)OC)Cl

Isomeric SMILES

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

InChI

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