ethyl 4-(3,4-dimethoxyphenyl)-2-(pyridin-3-ylcarbamothioylamino)thiophene-3-carboxylate

Systemtic Name: ethyl 4-(3,4-dimethoxyphenyl)-2-(pyridin-3-ylcarbamothioylamino)thiophene-3-carboxylate Openeye Name: ethyl 4-(3,4-dimethoxyphenyl)-2-(3-pyridylcarbamothioylamino)thiophene-3-carboxylate CAS Name: 4-(3,4-dimethoxyphenyl)-2-[[(3-pyridinylamino)-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(3,4-dimethoxyphenyl)-2-(pyridin-3-ylcarbamothioylamino)thiophene-3-carboxylate Traditional Name: 4-(3,4-dimethoxyphenyl)-2-(3-pyridylthiocarbamoylamino)thiophene-3-carboxylic acid ethyl ester Formula: C21H21N3O4S2 MolecularWeight: 443.53914

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC(=C(C=C2)OC)OC)NC(=S)NC3=CN=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC(=C(C=C2)OC)OC)NC(=S)NC3=CN=CC=C3

InChI

InChI=1S/C21H21N3O4S2/c1-4-28-20(25)18-15(13-7-8-16(26-2)17(10-13)27-3)12-30-19(18)24-21(29)23-14-6-5-9-22-11-14/h5-12H,4H2,1-3H3,(H2,23,24,29)