[1-[(3-ethoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-1-oxidanylidene-propan-2-yl] 1-pyrimidin-2-ylpiperidine-3-carboxylate

Systemtic Name: [1-[(3-ethoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-1-oxidanylidene-propan-2-yl] 1-pyrimidin-2-ylpiperidine-3-carboxylate Openeye Name: [2-[(3-ethoxycarbonyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]-1-methyl-2-oxo-ethyl] 1-pyrimidin-2-ylpiperidine-3-carboxylate CAS Name: 1-(2-pyrimidinyl)-3-piperidinecarboxylic acid [1-[(3-ethoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[(3-ethoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-1-oxopropan-2-yl] 1-pyrimidin-2-ylpiperidine-3-carboxylate Traditional Name: 1-(2-pyrimidyl)nipecotic acid [2-[(3-carbethoxy-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]-2-keto-1-methyl-ethyl] ester Formula: C24H30N4O5S MolecularWeight: 486.5838

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C(C)OC(=O)C3CCCN(C3)C4=NC=CC=N4

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C(C)OC(=O)C3CCCN(C3)C4=NC=CC=N4

InChI

InChI=1S/C24H30N4O5S/c1-3-32-23(31)19-17-9-4-5-10-18(17)34-21(19)27-20(29)15(2)33-22(30)16-8-6-13-28(14-16)24-25-11-7-12-26-24/h7,11-12,15-16H,3-6,8-10,13-14H2,1-2H3,(H,27,29)