ethyl (E)-4-[(2-ethyl-6-methyl-phenyl)carbamothioylamino]-4-oxidanylidene-but-2-enoate

Systemtic Name: ethyl (E)-4-[(2-ethyl-6-methyl-phenyl)carbamothioylamino]-4-oxidanylidene-but-2-enoate Openeye Name: ethyl (E)-4-[(2-ethyl-6-methyl-phenyl)carbamothioylamino]-4-oxo-but-2-enoate CAS Name: (E)-4-[[(2-ethyl-6-methylanilino)-sulfanylidenemethyl]amino]-4-oxo-2-butenoic acid ethyl ester IUPAC Name: ethyl (E)-4-[(2-ethyl-6-methylphenyl)carbamothioylamino]-4-oxobut-2-enoate Traditional Name: (E)-4-[(2-ethyl-6-methyl-phenyl)thiocarbamoylamino]-4-keto-but-2-enoic acid ethyl ester Formula: C16H20N2O3S MolecularWeight: 320.4066

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=S)NC(=O)C=CC(=O)OCC)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=S)NC(=O)/C=C/C(=O)OCC)C

InChI

InChI=1S/C16H20N2O3S/c1-4-12-8-6-7-11(3)15(12)18-16(22)17-13(19)9-10-14(20)21-5-2/h6-10H,4-5H2,1-3H3,(H2,17,18,19,22)/b10-9+