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

Systemtic Name: methyl 2-[(3-butoxyphenyl)carbonylamino]-6-ethanoyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate Openeye Name: methyl 6-acetyl-2-[(3-butoxybenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate CAS Name: 6-acetyl-2-[[(3-butoxyphenyl)-oxomethyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid methyl ester IUPAC Name: methyl 6-acetyl-2-[(3-butoxybenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate Traditional Name: 6-acetyl-2-[(3-butoxybenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid methyl ester Formula: C22H26N2O5S MolecularWeight: 430.51724

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC(=C1)C(=O)NC2=C(C3=C(S2)CN(CC3)C(=O)C)C(=O)OC

Isomeric SMILES

CCCCOC1=CC=CC(=C1)C(=O)NC2=C(C3=C(S2)CN(CC3)C(=O)C)C(=O)OC

InChI

InChI=1S/C22H26N2O5S/c1-4-5-11-29-16-8-6-7-15(12-16)20(26)23-21-19(22(27)28-3)17-9-10-24(14(2)25)13-18(17)30-21/h6-8,12H,4-5,9-11,13H2,1-3H3,(H,23,26)