ethyl (E)-4-[(5-chloranyl-2-methyl-phenyl)carbamothioylamino]-4-oxidanylidene-but-2-enoate

Systemtic Name: ethyl (E)-4-[(5-chloranyl-2-methyl-phenyl)carbamothioylamino]-4-oxidanylidene-but-2-enoate Openeye Name: ethyl (E)-4-[(5-chloro-2-methyl-phenyl)carbamothioylamino]-4-oxo-but-2-enoate CAS Name: (E)-4-[[(5-chloro-2-methylanilino)-sulfanylidenemethyl]amino]-4-oxo-2-butenoic acid ethyl ester IUPAC Name: ethyl (E)-4-[(5-chloro-2-methylphenyl)carbamothioylamino]-4-oxobut-2-enoate Traditional Name: (E)-4-[(5-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)7-6-12(18)17-14(21)16-11-8-10(15)5-4-9(11)2/h4-8H,3H2,1-2H3,(H2,16,17,18,21)/b7-6+