2-(4,4-dimethyl-2,3-dihydrothiochromen-6-yl)ethynyl thiophene-2-carboxylate

Systemtic Name: 2-(4,4-dimethyl-2,3-dihydrothiochromen-6-yl)ethynyl thiophene-2-carboxylate Openeye Name: 2-(4,4-dimethylthiochroman-6-yl)ethynyl thiophene-2-carboxylate CAS Name: 2-thiophenecarboxylic acid 2-(4,4-dimethyl-2,3-dihydro-1-benzothiopyran-6-yl)ethynyl ester IUPAC Name: 2-(4,4-dimethyl-2,3-dihydrothiochromen-6-yl)ethynyl thiophene-2-carboxylate Traditional Name: thiophene-2-carboxylic acid 2-(4,4-dimethylthiochroman-6-yl)ethynyl ester Formula: C18H16O2S2 MolecularWeight: 328.44844

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(CCSC2=C1C=C(C=C2)C#COC(=O)C3=CC=CS3)C

Isomeric SMILES

CC1(CCSC2=C1C=C(C=C2)C#COC(=O)C3=CC=CS3)C

InChI

InChI=1S/C18H16O2S2/c1-18(2)8-11-22-15-6-5-13(12-14(15)18)7-9-20-17(19)16-4-3-10-21-16/h3-6,10,12H,8,11H2,1-2H3