7-(4-methylphenyl)-2,3-dihydro-1-benzothiepine-4-carboxylic acid

Systemtic Name: 7-(4-methylphenyl)-2,3-dihydro-1-benzothiepine-4-carboxylic acid Openeye Name: 7-(p-tolyl)-2,3-dihydro-1-benzothiepine-4-carboxylic acid CAS Name: 7-(4-methylphenyl)-2,3-dihydro-1-benzothiepin-4-carboxylic acid IUPAC Name: 7-(4-methylphenyl)-2,3-dihydro-1-benzothiepine-4-carboxylic acid Traditional Name: 7-(p-tolyl)-2,3-dihydro-1-benzothiepin-4-carboxylic acid Formula: C18H16O2S MolecularWeight: 296.38344

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CC3=C(C=C2)SCCC(=C3)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)C2=CC3=C(C=C2)SCCC(=C3)C(=O)O

InChI

InChI=1S/C18H16O2S/c1-12-2-4-13(5-3-12)14-6-7-17-16(10-14)11-15(18(19)20)8-9-21-17/h2-7,10-11H,8-9H2,1H3,(H,19,20)