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

Systemtic Name: 7-(4-methoxyphenyl)-2,3-dihydro-1-benzothiepine-4-carboxylic acid Openeye Name: 7-(4-methoxyphenyl)-2,3-dihydro-1-benzothiepine-4-carboxylic acid CAS Name: 7-(4-methoxyphenyl)-2,3-dihydro-1-benzothiepin-4-carboxylic acid IUPAC Name: 7-(4-methoxyphenyl)-2,3-dihydro-1-benzothiepine-4-carboxylic acid Traditional Name: 7-(4-methoxyphenyl)-2,3-dihydro-1-benzothiepin-4-carboxylic acid Formula: C18H16O3S MolecularWeight: 312.38284

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CC3=C(C=C2)SCCC(=C3)C(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)C2=CC3=C(C=C2)SCCC(=C3)C(=O)O

InChI

InChI=1S/C18H16O3S/c1-21-16-5-2-12(3-6-16)13-4-7-17-15(10-13)11-14(18(19)20)8-9-22-17/h2-7,10-11H,8-9H2,1H3,(H,19,20)