[2-tert-butyl-4-(1,3-dithian-2-yl)phenyl] pyridine-3-carboxylate

Systemtic Name: [2-tert-butyl-4-(1,3-dithian-2-yl)phenyl] pyridine-3-carboxylate Openeye Name: [2-tert-butyl-4-(1,3-dithian-2-yl)phenyl] pyridine-3-carboxylate CAS Name: 3-pyridinecarboxylic acid [2-tert-butyl-4-(1,3-dithian-2-yl)phenyl] ester IUPAC Name: [2-tert-butyl-4-(1,3-dithian-2-yl)phenyl] pyridine-3-carboxylate Traditional Name: nicotinic acid [2-tert-butyl-4-(1,3-dithian-2-yl)phenyl] ester Formula: C20H23NO2S2 MolecularWeight: 373.53212

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C=CC(=C1)C2SCCCS2)OC(=O)C3=CN=CC=C3

Isomeric SMILES

CC(C)(C)C1=C(C=CC(=C1)C2SCCCS2)OC(=O)C3=CN=CC=C3

InChI

InChI=1S/C20H23NO2S2/c1-20(2,3)16-12-14(19-24-10-5-11-25-19)7-8-17(16)23-18(22)15-6-4-9-21-13-15/h4,6-9,12-13,19H,5,10-11H2,1-3H3