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

Systemtic Name: methyl 7-(4-ethoxyphenyl)-2,3-dihydro-1-benzothiepine-4-carboxylate Openeye Name: methyl 7-(4-ethoxyphenyl)-2,3-dihydro-1-benzothiepine-4-carboxylate CAS Name: 7-(4-ethoxyphenyl)-2,3-dihydro-1-benzothiepin-4-carboxylic acid methyl ester IUPAC Name: methyl 7-(4-ethoxyphenyl)-2,3-dihydro-1-benzothiepine-4-carboxylate Traditional Name: 7-p-phenetyl-2,3-dihydro-1-benzothiepin-4-carboxylic acid methyl ester Formula: C20H20O3S MolecularWeight: 340.436

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20O3S/c1-3-23-18-7-4-14(5-8-18)15-6-9-19-17(12-15)13-16(10-11-24-19)20(21)22-2/h4-9,12-13H,3,10-11H2,1-2H3