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

Systemtic Name: 4-[(Z)-2-(2,3,4,5-tetrahydro-1-benzothiepin-7-yl)prop-1-enyl]benzoic acid Openeye Name: 4-[(Z)-2-(2,3,4,5-tetrahydro-1-benzothiepin-7-yl)prop-1-enyl]benzoic acid CAS Name: 4-[(Z)-2-(2,3,4,5-tetrahydro-1-benzothiepin-7-yl)prop-1-enyl]benzoic acid IUPAC Name: 4-[(Z)-2-(2,3,4,5-tetrahydro-1-benzothiepin-7-yl)prop-1-enyl]benzoic acid Traditional Name: 4-[(Z)-2-(2,3,4,5-tetrahydro-1-benzothiepin-7-yl)prop-1-enyl]benzoic acid Formula: C20H20O2S MolecularWeight: 324.4366

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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

Isomeric SMILES

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

InChI

InChI=1S/C20H20O2S/c1-14(12-15-5-7-16(8-6-15)20(21)22)17-9-10-19-18(13-17)4-2-3-11-23-19/h5-10,12-13H,2-4,11H2,1H3,(H,21,22)/b14-12-