dimethyl 3-methyl-5-[(4-phenylmethoxyphenyl)carbamothioylamino]thiophene-2,4-dicarboxylate

Systemtic Name: dimethyl 3-methyl-5-[(4-phenylmethoxyphenyl)carbamothioylamino]thiophene-2,4-dicarboxylate Openeye Name: dimethyl 5-[(4-benzyloxyphenyl)carbamothioylamino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 3-methyl-5-[[(4-phenylmethoxyanilino)-sulfanylidenemethyl]amino]thiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 3-methyl-5-[(4-phenylmethoxyphenyl)carbamothioylamino]thiophene-2,4-dicarboxylate Traditional Name: 5-[(4-benzoxyphenyl)thiocarbamoylamino]-3-methyl-thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C23H22N2O5S2 MolecularWeight: 470.56118

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=S)NC2=CC=C(C=C2)OCC3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=S)NC2=CC=C(C=C2)OCC3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C23H22N2O5S2/c1-14-18(21(26)28-2)20(32-19(14)22(27)29-3)25-23(31)24-16-9-11-17(12-10-16)30-13-15-7-5-4-6-8-15/h4-12H,13H2,1-3H3,(H2,24,25,31)