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

Systemtic Name: dimethyl 5-azanyl-3-[(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanylmethyl]thiophene-2,4-dicarboxylate Openeye Name: dimethyl 5-amino-3-[(5-pyrrolidin-1-ylsulfonyl-2-pyridyl)sulfanylmethyl]thiophene-2,4-dicarboxylate CAS Name: 5-amino-3-[[[5-(1-pyrrolidinylsulfonyl)-2-pyridinyl]thio]methyl]thiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-amino-3-[(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanylmethyl]thiophene-2,4-dicarboxylate Traditional Name: 5-amino-3-[[(5-pyrrolidinosulfonyl-2-pyridyl)thio]methyl]thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C18H21N3O6S3 MolecularWeight: 471.57084

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC(=C1CSC2=NC=C(C=C2)S(=O)(=O)N3CCCC3)C(=O)OC)N

Isomeric SMILES

COC(=O)C1=C(SC(=C1CSC2=NC=C(C=C2)S(=O)(=O)N3CCCC3)C(=O)OC)N

InChI

InChI=1S/C18H21N3O6S3/c1-26-17(22)14-12(15(18(23)27-2)29-16(14)19)10-28-13-6-5-11(9-20-13)30(24,25)21-7-3-4-8-21/h5-6,9H,3-4,7-8,10,19H2,1-2H3