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

Systemtic Name: diethyl 5-azanyl-3-[(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanylmethyl]thiophene-2,4-dicarboxylate Openeye Name: diethyl 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 diethyl ester IUPAC Name: diethyl 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 diethyl ester Formula: C20H25N3O6S3 MolecularWeight: 499.624

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1CSC2=NC=C(C=C2)S(=O)(=O)N3CCCC3)C(=O)OCC)N

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1CSC2=NC=C(C=C2)S(=O)(=O)N3CCCC3)C(=O)OCC)N

InChI

InChI=1S/C20H25N3O6S3/c1-3-28-19(24)16-14(17(31-18(16)21)20(25)29-4-2)12-30-15-8-7-13(11-22-15)32(26,27)23-9-5-6-10-23/h7-8,11H,3-6,9-10,12,21H2,1-2H3