diethyl 5-[(2-methoxyphenyl)methylcarbamothioylamino]-3-methyl-thiophene-2,4-dicarboxylate

Systemtic Name: diethyl 5-[(2-methoxyphenyl)methylcarbamothioylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-[(2-methoxyphenyl)methylcarbamothioylamino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[[(2-methoxyphenyl)methylamino]-sulfanylidenemethyl]amino]-3-methylthiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[(2-methoxyphenyl)methylcarbamothioylamino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 3-methyl-5-(o-anisylthiocarbamoylamino)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)NCC2=CC=CC=C2OC

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=S)NCC2=CC=CC=C2OC

InChI

InChI=1S/C20H24N2O5S2/c1-5-26-18(23)15-12(3)16(19(24)27-6-2)29-17(15)22-20(28)21-11-13-9-7-8-10-14(13)25-4/h7-10H,5-6,11H2,1-4H3,(H2,21,22,28)