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

Systemtic Name: methyl 2-[(4-butoxyphenyl)carbonylamino]-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate Openeye Name: methyl 2-[(4-butoxybenzoyl)amino]-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate CAS Name: 2-[[(4-butoxyphenyl)-oxomethyl]amino]-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[(4-butoxybenzoyl)amino]-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate Traditional Name: 2-[(4-butoxybenzoyl)amino]-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid methyl ester Formula: C22H28N2O4S MolecularWeight: 416.53372

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N2O4S/c1-4-6-13-28-16-9-7-15(8-10-16)20(25)23-21-19(22(26)27-3)17-11-12-24(5-2)14-18(17)29-21/h7-10H,4-6,11-14H2,1-3H3,(H,23,25)