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

Systemtic Name: dimethyl 3-methyl-5-[(4-methylsulfonylpiperazin-1-yl)carbothioylamino]thiophene-2,4-dicarboxylate Openeye Name: dimethyl 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 dimethyl ester IUPAC Name: dimethyl 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 dimethyl ester Formula: C15H21N3O6S3 MolecularWeight: 435.53874

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=S)N2CCN(CC2)S(=O)(=O)C)C(=O)OC

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=S)N2CCN(CC2)S(=O)(=O)C)C(=O)OC

InChI

InChI=1S/C15H21N3O6S3/c1-9-10(13(19)23-2)12(26-11(9)14(20)24-3)16-15(25)17-5-7-18(8-6-17)27(4,21)22/h5-8H2,1-4H3,(H,16,25)