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

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

Systemtic Name:7-(4-ethoxyphenyl)-2,3-dihydro-1-benzothiepine-4-carboxylic acid
Openeye Name:7-(4-ethoxyphenyl)-2,3-dihydro-1-benzothiepine-4-carboxylic acid
CAS Name:7-(4-ethoxyphenyl)-2,3-dihydro-1-benzothiepin-4-carboxylic acid
IUPAC Name:7-(4-ethoxyphenyl)-2,3-dihydro-1-benzothiepine-4-carboxylic acid
Traditional Name:7-p-phenetyl-2,3-dihydro-1-benzothiepin-4-carboxylic acid
Formula: C19H18O3S
MolecularWeight: 326.40942
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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=CC3=C(C=C2)SCCC(=C3)C(=O)O


Isomeric SMILES

CCOC1=CC=C(C=C1)C2=CC3=C(C=C2)SCCC(=C3)C(=O)O


InChI

InChI=1S/C19H18O3S/c1-2-22-17-6-3-13(4-7-17)14-5-8-18-16(11-14)12-15(19(20)21)9-10-23-18/h3-8,11-12H,2,9-10H2,1H3,(H,20,21)


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