ethyl 4-[(2,6-dimethylphenyl)carbamothioylamino]-4-oxidanylidene-butanoate

Systemtic Name: ethyl 4-[(2,6-dimethylphenyl)carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: ethyl 4-[(2,6-dimethylphenyl)carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[(2,6-dimethylanilino)-sulfanylidenemethyl]amino]-4-oxobutanoic acid ethyl ester IUPAC Name: ethyl 4-[(2,6-dimethylphenyl)carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[(2,6-dimethylphenyl)thiocarbamoylamino]-4-keto-butyric acid ethyl ester Formula: C15H20N2O3S MolecularWeight: 308.3959

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H20N2O3S/c1-4-20-13(19)9-8-12(18)16-15(21)17-14-10(2)6-5-7-11(14)3/h5-7H,4,8-9H2,1-3H3,(H2,16,17,18,21)