methyl 4-[(3-aminocarbonyl-4,5-dimethyl-thiophen-2-yl)carbamothioylamino]-4-oxidanylidene-butanoate

Systemtic Name: methyl 4-[(3-aminocarbonyl-4,5-dimethyl-thiophen-2-yl)carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: methyl 4-[(3-carbamoyl-4,5-dimethyl-2-thienyl)carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[[(3-carbamoyl-4,5-dimethyl-2-thiophenyl)amino]-sulfanylidenemethyl]amino]-4-oxobutanoic acid methyl ester IUPAC Name: methyl 4-[(3-carbamoyl-4,5-dimethylthiophen-2-yl)carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[(3-carbamoyl-4,5-dimethyl-2-thienyl)thiocarbamoylamino]-4-keto-butyric acid methyl ester Formula: C13H17N3O4S2 MolecularWeight: 343.42178

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)N)NC(=S)NC(=O)CCC(=O)OC)C

Isomeric SMILES

CC1=C(SC(=C1C(=O)N)NC(=S)NC(=O)CCC(=O)OC)C

InChI

InChI=1S/C13H17N3O4S2/c1-6-7(2)22-12(10(6)11(14)19)16-13(21)15-8(17)4-5-9(18)20-3/h4-5H2,1-3H3,(H2,14,19)(H2,15,16,17,21)