diethyl 3-methyl-5-[[3-(2-methylpropoxy)phenyl]carbonylcarbamothioylamino]thiophene-2,4-dicarboxylate

Systemtic Name: diethyl 3-methyl-5-[[3-(2-methylpropoxy)phenyl]carbonylcarbamothioylamino]thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-[(3-isobutoxybenzoyl)carbamothioylamino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 3-methyl-5-[[[[[3-(2-methylpropoxy)phenyl]-oxomethyl]amino]-sulfanylidenemethyl]amino]thiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 3-methyl-5-[[3-(2-methylpropoxy)benzoyl]carbamothioylamino]thiophene-2,4-dicarboxylate Traditional Name: 5-[(3-isobutoxybenzoyl)thiocarbamoylamino]-3-methyl-thiophene-2,4-dicarboxylic acid diethyl ester Formula: C23H28N2O6S2 MolecularWeight: 492.60822

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28N2O6S2/c1-6-29-21(27)17-14(5)18(22(28)30-7-2)33-20(17)25-23(32)24-19(26)15-9-8-10-16(11-15)31-12-13(3)4/h8-11,13H,6-7,12H2,1-5H3,(H2,24,25,26,32)