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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC1=CC=C(C=C1)C(=O)O)C2=CC3=C(C=C2)N(CCCS3)C

Isomeric SMILES

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

InChI

InChI=1S/C20H21NO2S/c1-14(12-15-4-6-16(7-5-15)20(22)23)17-8-9-18-19(13-17)24-11-3-10-21(18)2/h4-9,12-13H,3,10-11H2,1-2H3,(H,22,23)/b14-12-