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

Systemtic Name: ethyl 7-(4-propoxyphenyl)-2,3-dihydro-1-benzothiepine-4-carboxylate Openeye Name: ethyl 7-(4-propoxyphenyl)-2,3-dihydro-1-benzothiepine-4-carboxylate CAS Name: 7-(4-propoxyphenyl)-2,3-dihydro-1-benzothiepin-4-carboxylic acid ethyl ester IUPAC Name: ethyl 7-(4-propoxyphenyl)-2,3-dihydro-1-benzothiepine-4-carboxylate Traditional Name: 7-(4-propoxyphenyl)-2,3-dihydro-1-benzothiepin-4-carboxylic acid ethyl ester Formula: C22H24O3S MolecularWeight: 368.48916

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C2=CC3=C(C=C2)SCCC(=C3)C(=O)OCC

Isomeric SMILES

CCCOC1=CC=C(C=C1)C2=CC3=C(C=C2)SCCC(=C3)C(=O)OCC

InChI

InChI=1S/C22H24O3S/c1-3-12-25-20-8-5-16(6-9-20)17-7-10-21-19(14-17)15-18(11-13-26-21)22(23)24-4-2/h5-10,14-15H,3-4,11-13H2,1-2H3