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

Systemtic Name: ethyl 4-(3,4-dimethoxyphenyl)-2-(prop-2-enylcarbamothioylamino)thiophene-3-carboxylate Openeye Name: ethyl 2-(allylcarbamothioylamino)-4-(3,4-dimethoxyphenyl)thiophene-3-carboxylate CAS Name: 4-(3,4-dimethoxyphenyl)-2-[[(prop-2-enylamino)-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(3,4-dimethoxyphenyl)-2-(prop-2-enylcarbamothioylamino)thiophene-3-carboxylate Traditional Name: 2-(allylthiocarbamoylamino)-4-(3,4-dimethoxyphenyl)thiophene-3-carboxylic acid ethyl ester Formula: C19H22N2O4S2 MolecularWeight: 406.51898

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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

Isomeric SMILES

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

InChI

InChI=1S/C19H22N2O4S2/c1-5-9-20-19(26)21-17-16(18(22)25-6-2)13(11-27-17)12-7-8-14(23-3)15(10-12)24-4/h5,7-8,10-11H,1,6,9H2,2-4H3,(H2,20,21,26)