methyl 6-[(2R)-2-[(4-thiophen-2-ylbutanoylamino)methyl]-2,3-dihydro-1-benzofuran-7-yl]pyridine-3-carboxylate

Systemtic Name: methyl 6-[(2R)-2-[(4-thiophen-2-ylbutanoylamino)methyl]-2,3-dihydro-1-benzofuran-7-yl]pyridine-3-carboxylate Openeye Name: methyl 6-[(2R)-2-[[4-(2-thienyl)butanoylamino]methyl]-2,3-dihydrobenzofuran-7-yl]pyridine-3-carboxylate CAS Name: 6-[(2R)-2-[[(1-oxo-4-thiophen-2-ylbutyl)amino]methyl]-2,3-dihydrobenzofuran-7-yl]-3-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 6-[(2R)-2-[(4-thiophen-2-ylbutanoylamino)methyl]-2,3-dihydro-1-benzofuran-7-yl]pyridine-3-carboxylate Traditional Name: 6-[(2R)-2-[[4-(2-thienyl)butanoylamino]methyl]coumaran-7-yl]nicotinic acid methyl ester Formula: C24H24N2O4S MolecularWeight: 436.52336

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CN=C(C=C1)C2=C3C(=CC=C2)CC(O3)CNC(=O)CCCC4=CC=CS4

Isomeric SMILES

COC(=O)C1=CN=C(C=C1)C2=C3C(=CC=C2)C[C@@H](O3)CNC(=O)CCCC4=CC=CS4

InChI

InChI=1S/C24H24N2O4S/c1-29-24(28)17-10-11-21(25-14-17)20-8-2-5-16-13-18(30-23(16)20)15-26-22(27)9-3-6-19-7-4-12-31-19/h2,4-5,7-8,10-12,14,18H,3,6,9,13,15H2,1H3,(H,26,27)/t18-/m1/s1