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

Systemtic Name: diethyl 5-[(2-methoxy-5-methyl-phenyl)carbamothioylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-[(2-methoxy-5-methyl-phenyl)carbamothioylamino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[(2-methoxy-5-methylanilino)-sulfanylidenemethyl]amino]-3-methylthiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[(2-methoxy-5-methylphenyl)carbamothioylamino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[(2-methoxy-5-methyl-phenyl)thiocarbamoylamino]-3-methyl-thiophene-2,4-dicarboxylic acid diethyl ester Formula: C20H24N2O5S2 MolecularWeight: 436.54496

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C20H24N2O5S2/c1-6-26-18(23)15-12(4)16(19(24)27-7-2)29-17(15)22-20(28)21-13-10-11(3)8-9-14(13)25-5/h8-10H,6-7H2,1-5H3,(H2,21,22,28)