dimethyl 5-[[3,5-bis(ethoxycarbonyl)phenyl]carbamothioylamino]-3-methyl-thiophene-2,4-dicarboxylate

Systemtic Name: dimethyl 5-[[3,5-bis(ethoxycarbonyl)phenyl]carbamothioylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: dimethyl 5-[[3,5-bis(ethoxycarbonyl)phenyl]carbamothioylamino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[[3,5-bis(ethoxycarbonyl)anilino]-sulfanylidenemethyl]amino]-3-methylthiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[3,5-bis(ethoxycarbonyl)phenyl]carbamothioylamino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[(3,5-dicarbethoxyphenyl)thiocarbamoylamino]-3-methyl-thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C22H24N2O8S2 MolecularWeight: 508.56456

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1)NC(=S)NC2=C(C(=C(S2)C(=O)OC)C)C(=O)OC)C(=O)OCC

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)NC(=S)NC2=C(C(=C(S2)C(=O)OC)C)C(=O)OC)C(=O)OCC

InChI

InChI=1S/C22H24N2O8S2/c1-6-31-18(25)12-8-13(19(26)32-7-2)10-14(9-12)23-22(33)24-17-15(20(27)29-4)11(3)16(34-17)21(28)30-5/h8-10H,6-7H2,1-5H3,(H2,23,24,33)