ethyl (E)-4-[(3-chloranyl-2-methyl-phenyl)carbamothioylamino]-4-oxidanylidene-but-2-enoate

Systemtic Name: ethyl (E)-4-[(3-chloranyl-2-methyl-phenyl)carbamothioylamino]-4-oxidanylidene-but-2-enoate Openeye Name: ethyl (E)-4-[(3-chloro-2-methyl-phenyl)carbamothioylamino]-4-oxo-but-2-enoate CAS Name: (E)-4-[[(3-chloro-2-methylanilino)-sulfanylidenemethyl]amino]-4-oxo-2-butenoic acid ethyl ester IUPAC Name: ethyl (E)-4-[(3-chloro-2-methylphenyl)carbamothioylamino]-4-oxobut-2-enoate Traditional Name: (E)-4-[(3-chloro-2-methyl-phenyl)thiocarbamoylamino]-4-keto-but-2-enoic acid ethyl ester Formula: C14H15ClN2O3S MolecularWeight: 326.7985

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H15ClN2O3S/c1-3-20-13(19)8-7-12(18)17-14(21)16-11-6-4-5-10(15)9(11)2/h4-8H,3H2,1-2H3,(H2,16,17,18,21)/b8-7+