[2-[[(6R)-6-methyl-3-propan-2-yloxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]-2-oxidanylidene-ethyl] pyridine-4-carboxylate

Systemtic Name: [2-[[(6R)-6-methyl-3-propan-2-yloxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]-2-oxidanylidene-ethyl] pyridine-4-carboxylate Openeye Name: [2-[[(6R)-3-isopropoxycarbonyl-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]amino]-2-oxo-ethyl] pyridine-4-carboxylate CAS Name: 4-pyridinecarboxylic acid [2-[[(6R)-6-methyl-3-[oxo(propan-2-yloxy)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(6R)-6-methyl-3-propan-2-yloxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]-2-oxoethyl] pyridine-4-carboxylate Traditional Name: isonicotinic acid [2-[[(6R)-3-isopropoxycarbonyl-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]amino]-2-keto-ethyl] ester Formula: C21H24N2O5S MolecularWeight: 416.49066

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N2O5S/c1-12(2)28-21(26)18-15-5-4-13(3)10-16(15)29-19(18)23-17(24)11-27-20(25)14-6-8-22-9-7-14/h6-9,12-13H,4-5,10-11H2,1-3H3,(H,23,24)/t13-/m1/s1