methyl 4-[(4-pyrrolidin-1-ylsulfonylphenyl)carbonylamino]-2,3-dihydrothiophene-5-carboxylate

Systemtic Name: methyl 4-[(4-pyrrolidin-1-ylsulfonylphenyl)carbonylamino]-2,3-dihydrothiophene-5-carboxylate Openeye Name: methyl 4-[(4-pyrrolidin-1-ylsulfonylbenzoyl)amino]-2,3-dihydrothiophene-5-carboxylate CAS Name: 4-[[oxo-[4-(1-pyrrolidinylsulfonyl)phenyl]methyl]amino]-2,3-dihydrothiophene-5-carboxylic acid methyl ester IUPAC Name: methyl 4-[(4-pyrrolidin-1-ylsulfonylbenzoyl)amino]-2,3-dihydrothiophene-5-carboxylate Traditional Name: 4-[(4-pyrrolidinosulfonylbenzoyl)amino]-2,3-dihydrothiophene-5-carboxylic acid methyl ester Formula: C17H20N2O5S2 MolecularWeight: 396.4811

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(CCS1)NC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3

Isomeric SMILES

COC(=O)C1=C(CCS1)NC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C17H20N2O5S2/c1-24-17(21)15-14(8-11-25-15)18-16(20)12-4-6-13(7-5-12)26(22,23)19-9-2-3-10-19/h4-7H,2-3,8-11H2,1H3,(H,18,20)