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

Systemtic Name: [(Z)-2-(5-methyl-3,4-dihydro-2H-1,5-benzothiazepin-8-yl)prop-1-enyl] benzoate Openeye Name: [(Z)-2-(5-methyl-3,4-dihydro-2H-1,5-benzothiazepin-8-yl)prop-1-enyl] benzoate CAS Name: benzoic acid [(Z)-2-(5-methyl-3,4-dihydro-2H-1,5-benzothiazepin-8-yl)prop-1-enyl] ester IUPAC Name: [(Z)-2-(5-methyl-3,4-dihydro-2H-1,5-benzothiazepin-8-yl)prop-1-enyl] benzoate Traditional Name: benzoic acid [(Z)-2-(5-methyl-3,4-dihydro-2H-1,5-benzothiazepin-8-yl)prop-1-enyl] ester Formula: C20H21NO2S MolecularWeight: 339.45124

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Descriptors Computed from Structure

Canonical SMILES:

CC(=COC(=O)C1=CC=CC=C1)C2=CC3=C(C=C2)N(CCCS3)C

Isomeric SMILES

C/C(=C/OC(=O)C1=CC=CC=C1)/C2=CC3=C(C=C2)N(CCCS3)C

InChI

InChI=1S/C20H21NO2S/c1-15(14-23-20(22)16-7-4-3-5-8-16)17-9-10-18-19(13-17)24-12-6-11-21(18)2/h3-5,7-10,13-14H,6,11-12H2,1-2H3/b15-14-