dimethyl 5-azanyl-3-[(5-piperidin-1-ylsulfonylpyridin-2-yl)sulfanylmethyl]thiophene-2,4-dicarboxylate

Systemtic Name: dimethyl 5-azanyl-3-[(5-piperidin-1-ylsulfonylpyridin-2-yl)sulfanylmethyl]thiophene-2,4-dicarboxylate Openeye Name: dimethyl 5-amino-3-[[5-(1-piperidylsulfonyl)-2-pyridyl]sulfanylmethyl]thiophene-2,4-dicarboxylate CAS Name: 5-amino-3-[[[5-(1-piperidinylsulfonyl)-2-pyridinyl]thio]methyl]thiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-amino-3-[(5-piperidin-1-ylsulfonylpyridin-2-yl)sulfanylmethyl]thiophene-2,4-dicarboxylate Traditional Name: 5-amino-3-[[(5-piperidinosulfonyl-2-pyridyl)thio]methyl]thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C19H23N3O6S3 MolecularWeight: 485.59742

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC(=C1CSC2=NC=C(C=C2)S(=O)(=O)N3CCCCC3)C(=O)OC)N

Isomeric SMILES

COC(=O)C1=C(SC(=C1CSC2=NC=C(C=C2)S(=O)(=O)N3CCCCC3)C(=O)OC)N

InChI

InChI=1S/C19H23N3O6S3/c1-27-18(23)15-13(16(19(24)28-2)30-17(15)20)11-29-14-7-6-12(10-21-14)31(25,26)22-8-4-3-5-9-22/h6-7,10H,3-5,8-9,11,20H2,1-2H3