4-[(E)-2-(5-methyl-2,3,4,5-tetrahydro-1-benzothiepin-8-yl)prop-1-enyl]benzoic acid

Systemtic Name: 4-[(E)-2-(5-methyl-2,3,4,5-tetrahydro-1-benzothiepin-8-yl)prop-1-enyl]benzoic acid Openeye Name: 4-[(E)-2-(5-methyl-2,3,4,5-tetrahydro-1-benzothiepin-8-yl)prop-1-enyl]benzoic acid CAS Name: 4-[(E)-2-(5-methyl-2,3,4,5-tetrahydro-1-benzothiepin-8-yl)prop-1-enyl]benzoic acid IUPAC Name: 4-[(E)-2-(5-methyl-2,3,4,5-tetrahydro-1-benzothiepin-8-yl)prop-1-enyl]benzoic acid Traditional Name: 4-[(E)-2-(5-methyl-2,3,4,5-tetrahydro-1-benzothiepin-8-yl)prop-1-enyl]benzoic acid Formula: C21H22O2S MolecularWeight: 338.46318

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCSC2=C1C=CC(=C2)C(=CC3=CC=C(C=C3)C(=O)O)C

Isomeric SMILES

CC1CCCSC2=C1C=CC(=C2)/C(=C/C3=CC=C(C=C3)C(=O)O)/C

InChI

InChI=1S/C21H22O2S/c1-14-4-3-11-24-20-13-18(9-10-19(14)20)15(2)12-16-5-7-17(8-6-16)21(22)23/h5-10,12-14H,3-4,11H2,1-2H3,(H,22,23)/b15-12+