4-[(E)-2-(3,5-dimethyl-3,4-dihydro-2H-1,5-benzothiazepin-8-yl)prop-1-enyl]benzoic acid

Systemtic Name: 4-[(E)-2-(3,5-dimethyl-3,4-dihydro-2H-1,5-benzothiazepin-8-yl)prop-1-enyl]benzoic acid Openeye Name: 4-[(E)-2-(3,5-dimethyl-3,4-dihydro-2H-1,5-benzothiazepin-8-yl)prop-1-enyl]benzoic acid CAS Name: 4-[(E)-2-(3,5-dimethyl-3,4-dihydro-2H-1,5-benzothiazepin-8-yl)prop-1-enyl]benzoic acid IUPAC Name: 4-[(E)-2-(3,5-dimethyl-3,4-dihydro-2H-1,5-benzothiazepin-8-yl)prop-1-enyl]benzoic acid Traditional Name: 4-[(E)-2-(3,5-dimethyl-3,4-dihydro-2H-1,5-benzothiazepin-8-yl)prop-1-enyl]benzoic acid Formula: C21H23NO2S MolecularWeight: 353.47782

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(C2=C(C=C(C=C2)C(=CC3=CC=C(C=C3)C(=O)O)C)SC1)C

Isomeric SMILES

CC1CN(C2=C(C=C(C=C2)/C(=C/C3=CC=C(C=C3)C(=O)O)/C)SC1)C

InChI

InChI=1S/C21H23NO2S/c1-14-12-22(3)19-9-8-18(11-20(19)25-13-14)15(2)10-16-4-6-17(7-5-16)21(23)24/h4-11,14H,12-13H2,1-3H3,(H,23,24)/b15-10+