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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23NO2S/c1-15(13-16-5-7-17(8-6-16)21(23)24-3)18-9-10-19-20(14-18)25-12-4-11-22(19)2/h5-10,13-14H,4,11-12H2,1-3H3/b15-13-