6-[2-(4,4-dimethyl-2,3-dihydro-1,4-benzothiasilin-6-yl)ethynyl]pyridine-3-carboxylic acid

Systemtic Name: 6-[2-(4,4-dimethyl-2,3-dihydro-1,4-benzothiasilin-6-yl)ethynyl]pyridine-3-carboxylic acid Openeye Name: 6-[2-(4,4-dimethyl-2,3-dihydro-1,4-benzothiasilin-6-yl)ethynyl]pyridine-3-carboxylic acid CAS Name: 6-[2-(4,4-dimethyl-2,3-dihydro-1,4-benzothiasilin-6-yl)ethynyl]-3-pyridinecarboxylic acid IUPAC Name: 6-[2-(4,4-dimethyl-2,3-dihydro-1,4-benzothiasilin-6-yl)ethynyl]pyridine-3-carboxylic acid Traditional Name: 6-[2-(4,4-dimethyl-2,3-dihydro-1,4-benzothiasilin-6-yl)ethynyl]nicotinic acid Formula: C18H17NO2SSi MolecularWeight: 339.48358

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Descriptors Computed from Structure

Canonical SMILES:

C[Si]1(CCSC2=C1C=C(C=C2)C#CC3=NC=C(C=C3)C(=O)O)C

Isomeric SMILES

C[Si]1(CCSC2=C1C=C(C=C2)C#CC3=NC=C(C=C3)C(=O)O)C

InChI

InChI=1S/C18H17NO2SSi/c1-23(2)10-9-22-16-8-4-13(11-17(16)23)3-6-15-7-5-14(12-19-15)18(20)21/h4-5,7-8,11-12H,9-10H2,1-2H3,(H,20,21)