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

Systemtic Name: diethyl 3-methyl-5-[(4-phenylmethoxyphenyl)carbamothioylamino]thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-[(4-benzyloxyphenyl)carbamothioylamino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 3-methyl-5-[[(4-phenylmethoxyanilino)-sulfanylidenemethyl]amino]thiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 3-methyl-5-[(4-phenylmethoxyphenyl)carbamothioylamino]thiophene-2,4-dicarboxylate Traditional Name: 5-[(4-benzoxyphenyl)thiocarbamoylamino]-3-methyl-thiophene-2,4-dicarboxylic acid diethyl ester Formula: C25H26N2O5S2 MolecularWeight: 498.61434

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=S)NC2=CC=C(C=C2)OCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=S)NC2=CC=C(C=C2)OCC3=CC=CC=C3

InChI

InChI=1S/C25H26N2O5S2/c1-4-30-23(28)20-16(3)21(24(29)31-5-2)34-22(20)27-25(33)26-18-11-13-19(14-12-18)32-15-17-9-7-6-8-10-17/h6-14H,4-5,15H2,1-3H3,(H2,26,27,33)