ethyl 7-(4-ethoxyphenyl)-2,3-dihydro-1-benzothiepine-4-carboxylate

Systemtic Name: ethyl 7-(4-ethoxyphenyl)-2,3-dihydro-1-benzothiepine-4-carboxylate Openeye Name: ethyl 7-(4-ethoxyphenyl)-2,3-dihydro-1-benzothiepine-4-carboxylate CAS Name: 7-(4-ethoxyphenyl)-2,3-dihydro-1-benzothiepin-4-carboxylic acid ethyl ester IUPAC Name: ethyl 7-(4-ethoxyphenyl)-2,3-dihydro-1-benzothiepine-4-carboxylate Traditional Name: 7-p-phenetyl-2,3-dihydro-1-benzothiepin-4-carboxylic acid ethyl ester Formula: C21H22O3S MolecularWeight: 354.46258

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22O3S/c1-3-23-19-8-5-15(6-9-19)16-7-10-20-18(13-16)14-17(11-12-25-20)21(22)24-4-2/h5-10,13-14H,3-4,11-12H2,1-2H3