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

Systemtic Name: ethyl 5-(3,4-dimethoxyphenyl)-3-(2-methylprop-2-enylcarbamothioylamino)thiophene-2-carboxylate Openeye Name: ethyl 5-(3,4-dimethoxyphenyl)-3-(2-methylallylcarbamothioylamino)thiophene-2-carboxylate CAS Name: 5-(3,4-dimethoxyphenyl)-3-[[(2-methylprop-2-enylamino)-sulfanylidenemethyl]amino]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-(3,4-dimethoxyphenyl)-3-(2-methylprop-2-enylcarbamothioylamino)thiophene-2-carboxylate Traditional Name: 5-(3,4-dimethoxyphenyl)-3-(2-methylallylthiocarbamoylamino)thiophene-2-carboxylic acid ethyl ester Formula: C20H24N2O4S2 MolecularWeight: 420.54556

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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