propan-2-yl (6R)-6-methyl-2-(pyridin-3-ylcarbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: propan-2-yl (6R)-6-methyl-2-(pyridin-3-ylcarbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: isopropyl (6R)-6-methyl-2-(pyridine-3-carbonylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: (6R)-6-methyl-2-[[oxo(3-pyridinyl)methyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl (6R)-6-methyl-2-(pyridine-3-carbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: (6R)-6-methyl-2-nicotinamido-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid isopropyl ester Formula: C19H22N2O3S MolecularWeight: 358.45458

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C(=O)OC(C)C)NC(=O)C3=CN=CC=C3

Isomeric SMILES

C[C@@H]1CCC2=C(C1)SC(=C2C(=O)OC(C)C)NC(=O)C3=CN=CC=C3

InChI

InChI=1S/C19H22N2O3S/c1-11(2)24-19(23)16-14-7-6-12(3)9-15(14)25-18(16)21-17(22)13-5-4-8-20-10-13/h4-5,8,10-12H,6-7,9H2,1-3H3,(H,21,22)/t12-/m1/s1