methyl 4-[(3-chloranyl-2-methyl-phenyl)carbamothioylamino]-4-oxidanylidene-butanoate

Systemtic Name: methyl 4-[(3-chloranyl-2-methyl-phenyl)carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: methyl 4-[(3-chloro-2-methyl-phenyl)carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[(3-chloro-2-methylanilino)-sulfanylidenemethyl]amino]-4-oxobutanoic acid methyl ester IUPAC Name: methyl 4-[(3-chloro-2-methylphenyl)carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[(3-chloro-2-methyl-phenyl)thiocarbamoylamino]-4-keto-butyric acid methyl ester Formula: C13H15ClN2O3S MolecularWeight: 314.7878

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NC(=S)NC(=O)CCC(=O)OC

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC(=S)NC(=O)CCC(=O)OC

InChI

InChI=1S/C13H15ClN2O3S/c1-8-9(14)4-3-5-10(8)15-13(20)16-11(17)6-7-12(18)19-2/h3-5H,6-7H2,1-2H3,(H2,15,16,17,20)