methyl 2-[4-(phenylsulfonyl)butanoylamino]-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate

Systemtic Name: methyl 2-[4-(phenylsulfonyl)butanoylamino]-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate Openeye Name: methyl 2-[4-(benzenesulfonyl)butanoylamino]-6-isopropyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate CAS Name: 2-[[4-(benzenesulfonyl)-1-oxobutyl]amino]-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[4-(benzenesulfonyl)butanoylamino]-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate Traditional Name: 2-(4-besylbutanoylamino)-6-isopropyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid methyl ester Formula: C22H28N2O5S2 MolecularWeight: 464.59812

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)CCCS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC(C)N1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)CCCS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H28N2O5S2/c1-15(2)24-12-11-17-18(14-24)30-21(20(17)22(26)29-3)23-19(25)10-7-13-31(27,28)16-8-5-4-6-9-16/h4-6,8-9,15H,7,10-14H2,1-3H3,(H,23,25)