ethyl 2-[3-(3,4-dimethoxyphenyl)prop-2-enoylcarbamothioylamino]-4,5-dimethyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[3-(3,4-dimethoxyphenyl)prop-2-enoylcarbamothioylamino]-4,5-dimethyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[3-(3,4-dimethoxyphenyl)prop-2-enoylcarbamothioylamino]-4,5-dimethyl-thiophene-3-carboxylate CAS Name: 2-[[[[3-(3,4-dimethoxyphenyl)-1-oxoprop-2-enyl]amino]-sulfanylidenemethyl]amino]-4,5-dimethyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[3-(3,4-dimethoxyphenyl)prop-2-enoylcarbamothioylamino]-4,5-dimethylthiophene-3-carboxylate Traditional Name: 2-[[3-(3,4-dimethoxyphenyl)acryloyl]thiocarbamoylamino]-4,5-dimethyl-thiophene-3-carboxylic acid ethyl ester Formula: C21H24N2O5S2 MolecularWeight: 448.55566

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C)NC(=S)NC(=O)C=CC2=CC(=C(C=C2)OC)OC

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C)NC(=S)NC(=O)C=CC2=CC(=C(C=C2)OC)OC

InChI

InChI=1S/C21H24N2O5S2/c1-6-28-20(25)18-12(2)13(3)30-19(18)23-21(29)22-17(24)10-8-14-7-9-15(26-4)16(11-14)27-5/h7-11H,6H2,1-5H3,(H2,22,23,24,29)