[2-[(6-tert-butyl-3-methoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxidanylidene-ethyl] pyridine-3-carboxylate

Systemtic Name: [2-[(6-tert-butyl-3-methoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxidanylidene-ethyl] pyridine-3-carboxylate Openeye Name: [2-[(6-tert-butyl-3-methoxycarbonyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]-2-oxo-ethyl] pyridine-3-carboxylate CAS Name: 3-pyridinecarboxylic acid [2-[(6-tert-butyl-3-methoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(6-tert-butyl-3-methoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoethyl] pyridine-3-carboxylate Traditional Name: nicotinic acid [2-[(6-tert-butyl-3-carbomethoxy-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]-2-keto-ethyl] ester Formula: C22H26N2O5S MolecularWeight: 430.51724

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)COC(=O)C3=CN=CC=C3

Isomeric SMILES

CC(C)(C)C1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)COC(=O)C3=CN=CC=C3

InChI

InChI=1S/C22H26N2O5S/c1-22(2,3)14-7-8-15-16(10-14)30-19(18(15)21(27)28-4)24-17(25)12-29-20(26)13-6-5-9-23-11-13/h5-6,9,11,14H,7-8,10,12H2,1-4H3,(H,24,25)