5-[(E)-2-(4,4,7-trimethyl-2,3-dihydrothiochromen-6-yl)prop-1-enyl]thiophene-3-carboxylic acid

Systemtic Name: 5-[(E)-2-(4,4,7-trimethyl-2,3-dihydrothiochromen-6-yl)prop-1-enyl]thiophene-3-carboxylic acid Openeye Name: 5-[(E)-2-(4,4,7-trimethylthiochroman-6-yl)prop-1-enyl]thiophene-3-carboxylic acid CAS Name: 5-[(E)-2-(4,4,7-trimethyl-2,3-dihydro-1-benzothiopyran-6-yl)prop-1-enyl]-3-thiophenecarboxylic acid IUPAC Name: 5-[(E)-2-(4,4,7-trimethyl-2,3-dihydrothiochromen-6-yl)prop-1-enyl]thiophene-3-carboxylic acid Traditional Name: 5-[(E)-2-(4,4,7-trimethylthiochroman-6-yl)prop-1-enyl]-3-thenoic acid Formula: C20H22O2S2 MolecularWeight: 358.51748

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C(=CC3=CC(=CS3)C(=O)O)C)C(CCS2)(C)C

Isomeric SMILES

CC1=CC2=C(C=C1/C(=C/C3=CC(=CS3)C(=O)O)/C)C(CCS2)(C)C

InChI

InChI=1S/C20H22O2S2/c1-12(7-15-9-14(11-24-15)19(21)22)16-10-17-18(8-13(16)2)23-6-5-20(17,3)4/h7-11H,5-6H2,1-4H3,(H,21,22)/b12-7+