ethyl 4-(3,4-dimethoxyphenyl)-2-(2-methylprop-2-enylcarbamothioylamino)thiophene-3-carboxylate

Systemtic Name: ethyl 4-(3,4-dimethoxyphenyl)-2-(2-methylprop-2-enylcarbamothioylamino)thiophene-3-carboxylate Openeye Name: ethyl 4-(3,4-dimethoxyphenyl)-2-(2-methylallylcarbamothioylamino)thiophene-3-carboxylate CAS Name: 4-(3,4-dimethoxyphenyl)-2-[[(2-methylprop-2-enylamino)-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(3,4-dimethoxyphenyl)-2-(2-methylprop-2-enylcarbamothioylamino)thiophene-3-carboxylate Traditional Name: 4-(3,4-dimethoxyphenyl)-2-(2-methylallylthiocarbamoylamino)thiophene-3-carboxylic acid ethyl ester Formula: C20H24N2O4S2 MolecularWeight: 420.54556

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24N2O4S2/c1-6-26-19(23)17-14(13-7-8-15(24-4)16(9-13)25-5)11-28-18(17)22-20(27)21-10-12(2)3/h7-9,11H,2,6,10H2,1,3-5H3,(H2,21,22,27)