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

Systemtic Name: diethyl 3-methyl-5-[(4-propan-2-yloxycarbonylphenyl)carbamothioylamino]thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-[(4-isopropoxycarbonylphenyl)carbamothioylamino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 3-methyl-5-[[[4-[oxo(propan-2-yloxy)methyl]anilino]-sulfanylidenemethyl]amino]thiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 3-methyl-5-[(4-propan-2-yloxycarbonylphenyl)carbamothioylamino]thiophene-2,4-dicarboxylate Traditional Name: 5-[(4-isopropoxycarbonylphenyl)thiocarbamoylamino]-3-methyl-thiophene-2,4-dicarboxylic acid diethyl ester Formula: C22H26N2O6S2 MolecularWeight: 478.58164

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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)C(=O)OC(C)C

Isomeric SMILES

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

InChI

InChI=1S/C22H26N2O6S2/c1-6-28-20(26)16-13(5)17(21(27)29-7-2)32-18(16)24-22(31)23-15-10-8-14(9-11-15)19(25)30-12(3)4/h8-12H,6-7H2,1-5H3,(H2,23,24,31)