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

Systemtic Name: diethyl 5-[(5-methoxycarbonyl-2-methyl-phenyl)carbamothioylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-[(5-methoxycarbonyl-2-methyl-phenyl)carbamothioylamino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[(5-methoxycarbonyl-2-methylanilino)-sulfanylidenemethyl]amino]-3-methylthiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[(5-methoxycarbonyl-2-methylphenyl)carbamothioylamino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[(5-carbomethoxy-2-methyl-phenyl)thiocarbamoylamino]-3-methyl-thiophene-2,4-dicarboxylic acid diethyl ester Formula: C21H24N2O6S2 MolecularWeight: 464.55506

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N2O6S2/c1-6-28-19(25)15-12(4)16(20(26)29-7-2)31-17(15)23-21(30)22-14-10-13(18(24)27-5)9-8-11(14)3/h8-10H,6-7H2,1-5H3,(H2,22,23,30)