methyl 4-[(Z)-2-(3,3-dimethyl-4,5-dihydro-2H-1-benzothiepin-8-yl)prop-1-enyl]benzoate

Systemtic Name: methyl 4-[(Z)-2-(3,3-dimethyl-4,5-dihydro-2H-1-benzothiepin-8-yl)prop-1-enyl]benzoate Openeye Name: methyl 4-[(Z)-2-(3,3-dimethyl-4,5-dihydro-2H-1-benzothiepin-8-yl)prop-1-enyl]benzoate CAS Name: 4-[(Z)-2-(3,3-dimethyl-4,5-dihydro-2H-1-benzothiepin-8-yl)prop-1-enyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(Z)-2-(3,3-dimethyl-4,5-dihydro-2H-1-benzothiepin-8-yl)prop-1-enyl]benzoate Traditional Name: 4-[(Z)-2-(3,3-dimethyl-4,5-dihydro-2H-1-benzothiepin-8-yl)prop-1-enyl]benzoic acid methyl ester Formula: C23H26O2S MolecularWeight: 366.51634

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=CC1=CC=C(C=C1)C(=O)OC)C2=CC3=C(CCC(CS3)(C)C)C=C2

Isomeric SMILES

C/C(=C/C1=CC=C(C=C1)C(=O)OC)/C2=CC3=C(CCC(CS3)(C)C)C=C2

InChI

InChI=1S/C23H26O2S/c1-16(13-17-5-7-19(8-6-17)22(24)25-4)20-10-9-18-11-12-23(2,3)15-26-21(18)14-20/h5-10,13-14H,11-12,15H2,1-4H3/b16-13-