4-[(E,3E)-3-(4,4-dimethyl-2,3-dihydrothiochromen-6-yl)-3-hydroxyimino-prop-1-enyl]benzoic acid

Systemtic Name: 4-[(E,3E)-3-(4,4-dimethyl-2,3-dihydrothiochromen-6-yl)-3-hydroxyimino-prop-1-enyl]benzoic acid Openeye Name: 4-[(E,3E)-3-(4,4-dimethylthiochroman-6-yl)-3-hydroxyimino-prop-1-enyl]benzoic acid CAS Name: 4-[(E,3E)-3-(4,4-dimethyl-2,3-dihydro-1-benzothiopyran-6-yl)-3-hydroxyiminoprop-1-enyl]benzoic acid IUPAC Name: 4-[(E,3E)-3-(4,4-dimethyl-2,3-dihydrothiochromen-6-yl)-3-hydroxyiminoprop-1-enyl]benzoic acid Traditional Name: 4-[(E,3E)-3-(4,4-dimethylthiochroman-6-yl)-3-hydroximino-prop-1-enyl]benzoic acid Formula: C21H21NO3S MolecularWeight: 367.46134

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCSC2=C1C=C(C=C2)C(=NO)C=CC3=CC=C(C=C3)C(=O)O)C

Isomeric SMILES

CC1(CCSC2=C1C=C(C=C2)/C(=N/O)/C=C/C3=CC=C(C=C3)C(=O)O)C

InChI

InChI=1S/C21H21NO3S/c1-21(2)11-12-26-19-10-8-16(13-17(19)21)18(22-25)9-5-14-3-6-15(7-4-14)20(23)24/h3-10,13,25H,11-12H2,1-2H3,(H,23,24)/b9-5+,22-18+