ethyl 2-[2-(3,4-dimethoxyphenyl)ethylcarbamothioylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-(3,4-dimethoxyphenyl)ethylcarbamothioylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[2-(3,4-dimethoxyphenyl)ethylcarbamothioylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[[2-(3,4-dimethoxyphenyl)ethylamino]-sulfanylidenemethyl]amino]-5-methyl-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[2-(3,4-dimethoxyphenyl)ethylcarbamothioylamino]-5-methyl-4-phenylthiophene-3-carboxylate Traditional Name: 2-(homoveratrylthiocarbamoylamino)-5-methyl-4-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C25H28N2O4S2 MolecularWeight: 484.63082

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)C)NC(=S)NCCC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)C)NC(=S)NCCC3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C25H28N2O4S2/c1-5-31-24(28)22-21(18-9-7-6-8-10-18)16(2)33-23(22)27-25(32)26-14-13-17-11-12-19(29-3)20(15-17)30-4/h6-12,15H,5,13-14H2,1-4H3,(H2,26,27,32)