diethyl 3-methyl-5-[(4-methylsulfonylpiperazin-1-yl)carbothioylamino]thiophene-2,4-dicarboxylate

Systemtic Name: diethyl 3-methyl-5-[(4-methylsulfonylpiperazin-1-yl)carbothioylamino]thiophene-2,4-dicarboxylate Openeye Name: diethyl 3-methyl-5-[(4-methylsulfonylpiperazine-1-carbothioyl)amino]thiophene-2,4-dicarboxylate CAS Name: 3-methyl-5-[[(4-methylsulfonyl-1-piperazinyl)-sulfanylidenemethyl]amino]thiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 3-methyl-5-[(4-methylsulfonylpiperazine-1-carbothioyl)amino]thiophene-2,4-dicarboxylate Traditional Name: 5-[(4-mesylpiperazine-1-carbothioyl)amino]-3-methyl-thiophene-2,4-dicarboxylic acid diethyl ester Formula: C17H25N3O6S3 MolecularWeight: 463.5919

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=S)N2CCN(CC2)S(=O)(=O)C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=S)N2CCN(CC2)S(=O)(=O)C

InChI

InChI=1S/C17H25N3O6S3/c1-5-25-15(21)12-11(3)13(16(22)26-6-2)28-14(12)18-17(27)19-7-9-20(10-8-19)29(4,23)24/h5-10H2,1-4H3,(H,18,27)