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

Systemtic Name: methyl 2-[(3-ethylsulfonylphenyl)carbonylamino]-6-propyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate Openeye Name: methyl 2-[(3-ethylsulfonylbenzoyl)amino]-6-propyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate CAS Name: 2-[[(3-ethylsulfonylphenyl)-oxomethyl]amino]-6-propyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[(3-ethylsulfonylbenzoyl)amino]-6-propyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate Traditional Name: 2-[(3-esylbenzoyl)amino]-6-propyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid methyl ester Formula: C21H26N2O5S2 MolecularWeight: 450.57154

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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)CC

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O5S2/c1-4-10-23-11-9-16-17(13-23)29-20(18(16)21(25)28-3)22-19(24)14-7-6-8-15(12-14)30(26,27)5-2/h6-8,12H,4-5,9-11,13H2,1-3H3,(H,22,24)