methyl 2-[(4,5-dimethoxy-2-methoxycarbonyl-phenyl)carbamothioylamino]-5-phenyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[(4,5-dimethoxy-2-methoxycarbonyl-phenyl)carbamothioylamino]-5-phenyl-thiophene-3-carboxylate Openeye Name: methyl 2-[(4,5-dimethoxy-2-methoxycarbonyl-phenyl)carbamothioylamino]-5-phenyl-thiophene-3-carboxylate CAS Name: 2-[[(4,5-dimethoxy-2-methoxycarbonylanilino)-sulfanylidenemethyl]amino]-5-phenyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[(4,5-dimethoxy-2-methoxycarbonylphenyl)carbamothioylamino]-5-phenylthiophene-3-carboxylate Traditional Name: 2-[(2-carbomethoxy-4,5-dimethoxy-phenyl)thiocarbamoylamino]-5-phenyl-thiophene-3-carboxylic acid methyl ester Formula: C23H22N2O6S2 MolecularWeight: 486.56058

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)OC)NC(=S)NC2=C(C=C(S2)C3=CC=CC=C3)C(=O)OC)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)OC)NC(=S)NC2=C(C=C(S2)C3=CC=CC=C3)C(=O)OC)OC

InChI

InChI=1S/C23H22N2O6S2/c1-28-17-10-14(21(26)30-3)16(12-18(17)29-2)24-23(32)25-20-15(22(27)31-4)11-19(33-20)13-8-6-5-7-9-13/h5-12H,1-4H3,(H2,24,25,32)