methyl 2-[(3-methylsulfonylphenyl)carbonylamino]-6-propyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate

Systemtic Name: methyl 2-[(3-methylsulfonylphenyl)carbonylamino]-6-propyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate Openeye Name: methyl 2-[(3-methylsulfonylbenzoyl)amino]-6-propyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate CAS Name: 2-[[(3-methylsulfonylphenyl)-oxomethyl]amino]-6-propyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[(3-methylsulfonylbenzoyl)amino]-6-propyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate Traditional Name: 2-[(3-mesylbenzoyl)amino]-6-propyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid methyl ester Formula: C20H24N2O5S2 MolecularWeight: 436.54496

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)C3=CC(=CC=C3)S(=O)(=O)C

Isomeric SMILES

CCCN1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)C3=CC(=CC=C3)S(=O)(=O)C

InChI

InChI=1S/C20H24N2O5S2/c1-4-9-22-10-8-15-16(12-22)28-19(17(15)20(24)27-2)21-18(23)13-6-5-7-14(11-13)29(3,25)26/h5-7,11H,4,8-10,12H2,1-3H3,(H,21,23)