ethyl 4-(3,4-dimethoxyphenyl)-5-methyl-2-(prop-2-enylcarbamothioylamino)thiophene-3-carboxylate

Systemtic Name: ethyl 4-(3,4-dimethoxyphenyl)-5-methyl-2-(prop-2-enylcarbamothioylamino)thiophene-3-carboxylate Openeye Name: ethyl 2-(allylcarbamothioylamino)-4-(3,4-dimethoxyphenyl)-5-methyl-thiophene-3-carboxylate CAS Name: 4-(3,4-dimethoxyphenyl)-5-methyl-2-[[(prop-2-enylamino)-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(3,4-dimethoxyphenyl)-5-methyl-2-(prop-2-enylcarbamothioylamino)thiophene-3-carboxylate Traditional Name: 2-(allylthiocarbamoylamino)-4-(3,4-dimethoxyphenyl)-5-methyl-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)C)NC(=S)NCC=C

Isomeric SMILES

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

InChI

InChI=1S/C20H24N2O4S2/c1-6-10-21-20(27)22-18-17(19(23)26-7-2)16(12(3)28-18)13-8-9-14(24-4)15(11-13)25-5/h6,8-9,11H,1,7,10H2,2-5H3,(H2,21,22,27)