6-[2-(4,4-dimethyl-2,3-dihydrothiochromen-6-yl)ethynyl]pyridine-3-carboxylate

Systemtic Name: 6-[2-(4,4-dimethyl-2,3-dihydrothiochromen-6-yl)ethynyl]pyridine-3-carboxylate Openeye Name: 6-[2-(4,4-dimethylthiochroman-6-yl)ethynyl]pyridine-3-carboxylate CAS Name: 6-[2-(4,4-dimethyl-2,3-dihydro-1-benzothiopyran-6-yl)ethynyl]-3-pyridinecarboxylate IUPAC Name: 6-[2-(4,4-dimethyl-2,3-dihydrothiochromen-6-yl)ethynyl]pyridine-3-carboxylate Traditional Name: 6-[2-(4,4-dimethylthiochroman-6-yl)ethynyl]nicotinate Formula: C19H16NO2S- MolecularWeight: 322.40084

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCSC2=C1C=C(C=C2)C#CC3=NC=C(C=C3)C(=O)[O-])C

Isomeric SMILES

CC1(CCSC2=C1C=C(C=C2)C#CC3=NC=C(C=C3)C(=O)[O-])C

InChI

InChI=1S/C19H17NO2S/c1-19(2)9-10-23-17-8-4-13(11-16(17)19)3-6-15-7-5-14(12-20-15)18(21)22/h4-5,7-8,11-12H,9-10H2,1-2H3,(H,21,22)/p-1