ethyl (E)-4-[(2,6-dimethylphenyl)carbamothioylamino]-4-oxidanylidene-but-2-enoate

Systemtic Name: ethyl (E)-4-[(2,6-dimethylphenyl)carbamothioylamino]-4-oxidanylidene-but-2-enoate Openeye Name: ethyl (E)-4-[(2,6-dimethylphenyl)carbamothioylamino]-4-oxo-but-2-enoate CAS Name: (E)-4-[[(2,6-dimethylanilino)-sulfanylidenemethyl]amino]-4-oxo-2-butenoic acid ethyl ester IUPAC Name: ethyl (E)-4-[(2,6-dimethylphenyl)carbamothioylamino]-4-oxobut-2-enoate Traditional Name: (E)-4-[(2,6-dimethylphenyl)thiocarbamoylamino]-4-keto-but-2-enoic acid ethyl ester Formula: C15H18N2O3S MolecularWeight: 306.38002

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CC(=O)NC(=S)NC1=C(C=CC=C1C)C

Isomeric SMILES

CCOC(=O)/C=C/C(=O)NC(=S)NC1=C(C=CC=C1C)C

InChI

InChI=1S/C15H18N2O3S/c1-4-20-13(19)9-8-12(18)16-15(21)17-14-10(2)6-5-7-11(14)3/h5-9H,4H2,1-3H3,(H2,16,17,18,21)/b9-8+