propyl (6R)-6-phenyl-2-(pyridin-4-ylcarbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: propyl (6R)-6-phenyl-2-(pyridin-4-ylcarbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: propyl (6R)-6-phenyl-2-(pyridine-4-carbonylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: (6R)-2-[[oxo(pyridin-4-yl)methyl]amino]-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid propyl ester IUPAC Name: propyl (6R)-6-phenyl-2-(pyridine-4-carbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: (6R)-2-isonicotinamido-6-phenyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid propyl ester Formula: C24H24N2O3S MolecularWeight: 420.52396

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=C(SC2=C1CCC(C2)C3=CC=CC=C3)NC(=O)C4=CC=NC=C4

Isomeric SMILES

CCCOC(=O)C1=C(SC2=C1CC[C@H](C2)C3=CC=CC=C3)NC(=O)C4=CC=NC=C4

InChI

InChI=1S/C24H24N2O3S/c1-2-14-29-24(28)21-19-9-8-18(16-6-4-3-5-7-16)15-20(19)30-23(21)26-22(27)17-10-12-25-13-11-17/h3-7,10-13,18H,2,8-9,14-15H2,1H3,(H,26,27)/t18-/m1/s1