(4-chloranyl-2-methyl-phenyl) 2-[2-[(3-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanylethanoate

Systemtic Name: (4-chloranyl-2-methyl-phenyl) 2-[2-[(3-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanylethanoate Openeye Name: (4-chloro-2-methyl-phenyl) 2-[2-(3-methylanilino)-2-oxo-ethyl]sulfanylacetate CAS Name: 2-[[2-(3-methylanilino)-2-oxoethyl]thio]acetic acid (4-chloro-2-methylphenyl) ester IUPAC Name: (4-chloro-2-methylphenyl) 2-[2-(3-methylanilino)-2-oxoethyl]sulfanylacetate Traditional Name: 2-[[2-keto-2-(m-toluidino)ethyl]thio]acetic acid (4-chloro-2-methyl-phenyl) ester Formula: C18H18ClNO3S MolecularWeight: 363.85842

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)CSCC(=O)OC2=C(C=C(C=C2)Cl)C

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)CSCC(=O)OC2=C(C=C(C=C2)Cl)C

InChI

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