methyl 4-[(E)-2-(5-methyl-2,3,4,5-tetrahydro-1-benzothiepin-8-yl)prop-1-enyl]benzoate

Systemtic Name: methyl 4-[(E)-2-(5-methyl-2,3,4,5-tetrahydro-1-benzothiepin-8-yl)prop-1-enyl]benzoate Openeye Name: methyl 4-[(E)-2-(5-methyl-2,3,4,5-tetrahydro-1-benzothiepin-8-yl)prop-1-enyl]benzoate CAS Name: 4-[(E)-2-(5-methyl-2,3,4,5-tetrahydro-1-benzothiepin-8-yl)prop-1-enyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(E)-2-(5-methyl-2,3,4,5-tetrahydro-1-benzothiepin-8-yl)prop-1-enyl]benzoate Traditional Name: 4-[(E)-2-(5-methyl-2,3,4,5-tetrahydro-1-benzothiepin-8-yl)prop-1-enyl]benzoic acid methyl ester Formula: C22H24O2S MolecularWeight: 352.48976

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCSC2=C1C=CC(=C2)C(=CC3=CC=C(C=C3)C(=O)OC)C

Isomeric SMILES

CC1CCCSC2=C1C=CC(=C2)/C(=C/C3=CC=C(C=C3)C(=O)OC)/C

InChI

InChI=1S/C22H24O2S/c1-15-5-4-12-25-21-14-19(10-11-20(15)21)16(2)13-17-6-8-18(9-7-17)22(23)24-3/h6-11,13-15H,4-5,12H2,1-3H3/b16-13+