ethyl 4-cyano-5-[(2-methoxy-3-methyl-phenyl)carbonylcarbamothioylamino]-3-methyl-thiophene-2-carboxylate

Systemtic Name: ethyl 4-cyano-5-[(2-methoxy-3-methyl-phenyl)carbonylcarbamothioylamino]-3-methyl-thiophene-2-carboxylate Openeye Name: ethyl 4-cyano-5-[(2-methoxy-3-methyl-benzoyl)carbamothioylamino]-3-methyl-thiophene-2-carboxylate CAS Name: 4-cyano-5-[[[[(2-methoxy-3-methylphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-3-methyl-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-cyano-5-[(2-methoxy-3-methylbenzoyl)carbamothioylamino]-3-methylthiophene-2-carboxylate Traditional Name: 4-cyano-5-[(2-methoxy-3-methyl-benzoyl)thiocarbamoylamino]-3-methyl-thiophene-2-carboxylic acid ethyl ester Formula: C19H19N3O4S2 MolecularWeight: 417.50186

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)NC(=S)NC(=O)C2=C(C(=CC=C2)C)OC)C#N)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)NC(=S)NC(=O)C2=C(C(=CC=C2)C)OC)C#N)C

InChI

InChI=1S/C19H19N3O4S2/c1-5-26-18(24)15-11(3)13(9-20)17(28-15)22-19(27)21-16(23)12-8-6-7-10(2)14(12)25-4/h6-8H,5H2,1-4H3,(H2,21,22,23,27)