O4-ethyl O2-methyl 5-[(4-ethylphenyl)carbonylcarbamothioylamino]-3-methyl-thiophene-2,4-dicarboxylate

Systemtic Name: O4-ethyl O2-methyl 5-[(4-ethylphenyl)carbonylcarbamothioylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: O4-ethyl O2-methyl 5-[(4-ethylbenzoyl)carbamothioylamino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[[[(4-ethylphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-3-methylthiophene-2,4-dicarboxylic acid O4-ethyl ester O2-methyl ester IUPAC Name: 4-O-ethyl 2-O-methyl 5-[(4-ethylbenzoyl)carbamothioylamino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[(4-ethylbenzoyl)thiocarbamoylamino]-3-methyl-thiophene-2,4-dicarboxylic acid O4-ethyl ester O2-methyl ester Formula: C20H22N2O5S2 MolecularWeight: 434.52908

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)NC(=S)NC2=C(C(=C(S2)C(=O)OC)C)C(=O)OCC

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)NC(=S)NC2=C(C(=C(S2)C(=O)OC)C)C(=O)OCC

InChI

InChI=1S/C20H22N2O5S2/c1-5-12-7-9-13(10-8-12)16(23)21-20(28)22-17-14(18(24)27-6-2)11(3)15(29-17)19(25)26-4/h7-10H,5-6H2,1-4H3,(H2,21,22,23,28)