ethyl 4-(3,4-dimethoxyphenyl)-2-[(4-ethoxycarbonylphenyl)carbamothioylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 4-(3,4-dimethoxyphenyl)-2-[(4-ethoxycarbonylphenyl)carbamothioylamino]thiophene-3-carboxylate Openeye Name: ethyl 4-(3,4-dimethoxyphenyl)-2-[(4-ethoxycarbonylphenyl)carbamothioylamino]thiophene-3-carboxylate CAS Name: 4-(3,4-dimethoxyphenyl)-2-[[(4-ethoxycarbonylanilino)-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(3,4-dimethoxyphenyl)-2-[(4-ethoxycarbonylphenyl)carbamothioylamino]thiophene-3-carboxylate Traditional Name: 2-[(4-carbethoxyphenyl)thiocarbamoylamino]-4-(3,4-dimethoxyphenyl)thiophene-3-carboxylic acid ethyl ester Formula: C25H26N2O6S2 MolecularWeight: 514.61374

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=S)NC2=C(C(=CS2)C3=CC(=C(C=C3)OC)OC)C(=O)OCC

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=S)NC2=C(C(=CS2)C3=CC(=C(C=C3)OC)OC)C(=O)OCC

InChI

InChI=1S/C25H26N2O6S2/c1-5-32-23(28)15-7-10-17(11-8-15)26-25(34)27-22-21(24(29)33-6-2)18(14-35-22)16-9-12-19(30-3)20(13-16)31-4/h7-14H,5-6H2,1-4H3,(H2,26,27,34)