ethyl 4-(4-methoxyphenyl)-2-(thiophen-2-ylcarbonylcarbamothioylamino)thiophene-3-carboxylate

Systemtic Name: ethyl 4-(4-methoxyphenyl)-2-(thiophen-2-ylcarbonylcarbamothioylamino)thiophene-3-carboxylate Openeye Name: ethyl 4-(4-methoxyphenyl)-2-(thiophene-2-carbonylcarbamothioylamino)thiophene-3-carboxylate CAS Name: 4-(4-methoxyphenyl)-2-[[[[oxo(thiophen-2-yl)methyl]amino]-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-methoxyphenyl)-2-(thiophene-2-carbonylcarbamothioylamino)thiophene-3-carboxylate Traditional Name: 4-(4-methoxyphenyl)-2-(2-thenoylthiocarbamoylamino)thiophene-3-carboxylic acid ethyl ester Formula: C20H18N2O4S3 MolecularWeight: 446.56292

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)OC)NC(=S)NC(=O)C3=CC=CS3

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)OC)NC(=S)NC(=O)C3=CC=CS3

InChI

InChI=1S/C20H18N2O4S3/c1-3-26-19(24)16-14(12-6-8-13(25-2)9-7-12)11-29-18(16)22-20(27)21-17(23)15-5-4-10-28-15/h4-11H,3H2,1-2H3,(H2,21,22,23,27)