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

Systemtic Name: ethyl 5-(3,4-dimethoxyphenyl)-3-(prop-2-enylcarbamothioylamino)thiophene-2-carboxylate Openeye Name: ethyl 3-(allylcarbamothioylamino)-5-(3,4-dimethoxyphenyl)thiophene-2-carboxylate CAS Name: 5-(3,4-dimethoxyphenyl)-3-[[(prop-2-enylamino)-sulfanylidenemethyl]amino]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-(3,4-dimethoxyphenyl)-3-(prop-2-enylcarbamothioylamino)thiophene-2-carboxylate Traditional Name: 3-(allylthiocarbamoylamino)-5-(3,4-dimethoxyphenyl)thiophene-2-carboxylic acid ethyl ester Formula: C19H22N2O4S2 MolecularWeight: 406.51898

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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

Isomeric SMILES

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

InChI

InChI=1S/C19H22N2O4S2/c1-5-9-20-19(26)21-13-11-16(27-17(13)18(22)25-6-2)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)