4-[(Z)-2-(3,3-dimethyl-4,5-dihydro-2H-1-benzothiepin-7-yl)prop-1-enyl]benzoic acid

Systemtic Name: 4-[(Z)-2-(3,3-dimethyl-4,5-dihydro-2H-1-benzothiepin-7-yl)prop-1-enyl]benzoic acid Openeye Name: 4-[(Z)-2-(3,3-dimethyl-4,5-dihydro-2H-1-benzothiepin-7-yl)prop-1-enyl]benzoic acid CAS Name: 4-[(Z)-2-(3,3-dimethyl-4,5-dihydro-2H-1-benzothiepin-7-yl)prop-1-enyl]benzoic acid IUPAC Name: 4-[(Z)-2-(3,3-dimethyl-4,5-dihydro-2H-1-benzothiepin-7-yl)prop-1-enyl]benzoic acid Traditional Name: 4-[(Z)-2-(3,3-dimethyl-4,5-dihydro-2H-1-benzothiepin-7-yl)prop-1-enyl]benzoic acid Formula: C22H24O2S MolecularWeight: 352.48976

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC1=CC=C(C=C1)C(=O)O)C2=CC3=C(C=C2)SCC(CC3)(C)C

Isomeric SMILES

C/C(=C/C1=CC=C(C=C1)C(=O)O)/C2=CC3=C(C=C2)SCC(CC3)(C)C

InChI

InChI=1S/C22H24O2S/c1-15(12-16-4-6-17(7-5-16)21(23)24)18-8-9-20-19(13-18)10-11-22(2,3)14-25-20/h4-9,12-13H,10-11,14H2,1-3H3,(H,23,24)/b15-12-