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

Systemtic Name: ethyl 4-[(3-chloranyl-2-methyl-phenyl)carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: ethyl 4-[(3-chloro-2-methyl-phenyl)carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[(3-chloro-2-methylanilino)-sulfanylidenemethyl]amino]-4-oxobutanoic acid ethyl ester IUPAC Name: ethyl 4-[(3-chloro-2-methylphenyl)carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[(3-chloro-2-methyl-phenyl)thiocarbamoylamino]-4-keto-butyric acid ethyl ester Formula: C14H17ClN2O3S MolecularWeight: 328.81438

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC(=O)NC(=S)NC1=C(C(=CC=C1)Cl)C

Isomeric SMILES

CCOC(=O)CCC(=O)NC(=S)NC1=C(C(=CC=C1)Cl)C

InChI

InChI=1S/C14H17ClN2O3S/c1-3-20-13(19)8-7-12(18)17-14(21)16-11-6-4-5-10(15)9(11)2/h4-6H,3,7-8H2,1-2H3,(H2,16,17,18,21)