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

Systemtic Name: 4-[(Z)-2-(5,5-dimethyl-3,4-dihydro-2H-1-benzothiepin-7-yl)prop-1-enyl]benzoic acid Openeye Name: 4-[(Z)-2-(5,5-dimethyl-3,4-dihydro-2H-1-benzothiepin-7-yl)prop-1-enyl]benzoic acid CAS Name: 4-[(Z)-2-(5,5-dimethyl-3,4-dihydro-2H-1-benzothiepin-7-yl)prop-1-enyl]benzoic acid IUPAC Name: 4-[(Z)-2-(5,5-dimethyl-3,4-dihydro-2H-1-benzothiepin-7-yl)prop-1-enyl]benzoic acid Traditional Name: 4-[(Z)-2-(5,5-dimethyl-3,4-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)SCCCC3(C)C

Isomeric SMILES

C/C(=C/C1=CC=C(C=C1)C(=O)O)/C2=CC3=C(C=C2)SCCCC3(C)C

InChI

InChI=1S/C22H24O2S/c1-15(13-16-5-7-17(8-6-16)21(23)24)18-9-10-20-19(14-18)22(2,3)11-4-12-25-20/h5-10,13-14H,4,11-12H2,1-3H3,(H,23,24)/b15-13-