[1-(1,3-benzothiazol-2-ylsulfanyl)-3-[2-(2-methylpropoxycarbonyl)phenoxy]propan-2-yl] pyridine-3-carboxylate

Systemtic Name: [1-(1,3-benzothiazol-2-ylsulfanyl)-3-[2-(2-methylpropoxycarbonyl)phenoxy]propan-2-yl] pyridine-3-carboxylate Openeye Name: [1-(1,3-benzothiazol-2-ylsulfanylmethyl)-2-(2-isobutoxycarbonylphenoxy)ethyl] pyridine-3-carboxylate CAS Name: 3-pyridinecarboxylic acid [1-(1,3-benzothiazol-2-ylthio)-3-[2-[2-methylpropoxy(oxo)methyl]phenoxy]propan-2-yl] ester IUPAC Name: [1-(1,3-benzothiazol-2-ylsulfanyl)-3-[2-(2-methylpropoxycarbonyl)phenoxy]propan-2-yl] pyridine-3-carboxylate Traditional Name: nicotinic acid [1-[(1,3-benzothiazol-2-ylthio)methyl]-2-(2-isobutoxycarbonylphenoxy)ethyl] ester Formula: C27H26N2O5S2 MolecularWeight: 522.63574

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC(=O)C1=CC=CC=C1OCC(CSC2=NC3=CC=CC=C3S2)OC(=O)C4=CN=CC=C4

Isomeric SMILES

CC(C)COC(=O)C1=CC=CC=C1OCC(CSC2=NC3=CC=CC=C3S2)OC(=O)C4=CN=CC=C4

InChI

InChI=1S/C27H26N2O5S2/c1-18(2)15-33-26(31)21-9-3-5-11-23(21)32-16-20(34-25(30)19-8-7-13-28-14-19)17-35-27-29-22-10-4-6-12-24(22)36-27/h3-14,18,20H,15-17H2,1-2H3