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

Systemtic Name: [1-[(6-tert-butyl-3-ethoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-1-oxidanylidene-propan-2-yl] 2-chloranylpyridine-4-carboxylate Openeye Name: [2-[(6-tert-butyl-3-ethoxycarbonyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]-1-methyl-2-oxo-ethyl] 2-chloropyridine-4-carboxylate CAS Name: 2-chloro-4-pyridinecarboxylic acid [1-[(6-tert-butyl-3-ethoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[(6-tert-butyl-3-ethoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-1-oxopropan-2-yl] 2-chloropyridine-4-carboxylate Traditional Name: 2-chloroisonicotinic acid [2-[(6-tert-butyl-3-carbethoxy-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]-2-keto-1-methyl-ethyl] ester Formula: C24H29ClN2O5S MolecularWeight: 493.01546

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCC(C2)C(C)(C)C)NC(=O)C(C)OC(=O)C3=CC(=NC=C3)Cl

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCC(C2)C(C)(C)C)NC(=O)C(C)OC(=O)C3=CC(=NC=C3)Cl

InChI

InChI=1S/C24H29ClN2O5S/c1-6-31-23(30)19-16-8-7-15(24(3,4)5)12-17(16)33-21(19)27-20(28)13(2)32-22(29)14-9-10-26-18(25)11-14/h9-11,13,15H,6-8,12H2,1-5H3,(H,27,28)