methyl 2-[(2-ethoxycarbonylphenyl)carbamothioylamino]-4,5-dimethyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[(2-ethoxycarbonylphenyl)carbamothioylamino]-4,5-dimethyl-thiophene-3-carboxylate Openeye Name: methyl 2-[(2-ethoxycarbonylphenyl)carbamothioylamino]-4,5-dimethyl-thiophene-3-carboxylate CAS Name: 2-[[(2-ethoxycarbonylanilino)-sulfanylidenemethyl]amino]-4,5-dimethyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[(2-ethoxycarbonylphenyl)carbamothioylamino]-4,5-dimethylthiophene-3-carboxylate Traditional Name: 2-[(2-carbethoxyphenyl)thiocarbamoylamino]-4,5-dimethyl-thiophene-3-carboxylic acid methyl ester Formula: C18H20N2O4S2 MolecularWeight: 392.4924

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=CC=C1NC(=S)NC2=C(C(=C(S2)C)C)C(=O)OC

Isomeric SMILES

CCOC(=O)C1=CC=CC=C1NC(=S)NC2=C(C(=C(S2)C)C)C(=O)OC

InChI

InChI=1S/C18H20N2O4S2/c1-5-24-16(21)12-8-6-7-9-13(12)19-18(25)20-15-14(17(22)23-4)10(2)11(3)26-15/h6-9H,5H2,1-4H3,(H2,19,20,25)