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

Systemtic Name: methyl 4-[(E)-2-(3,5-dimethyl-3,4-dihydro-2H-1,5-benzothiazepin-8-yl)prop-1-enyl]benzoate Openeye Name: methyl 4-[(E)-2-(3,5-dimethyl-3,4-dihydro-2H-1,5-benzothiazepin-8-yl)prop-1-enyl]benzoate CAS Name: 4-[(E)-2-(3,5-dimethyl-3,4-dihydro-2H-1,5-benzothiazepin-8-yl)prop-1-enyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(E)-2-(3,5-dimethyl-3,4-dihydro-2H-1,5-benzothiazepin-8-yl)prop-1-enyl]benzoate Traditional Name: 4-[(E)-2-(3,5-dimethyl-3,4-dihydro-2H-1,5-benzothiazepin-8-yl)prop-1-enyl]benzoic acid methyl ester Formula: C22H25NO2S MolecularWeight: 367.5044

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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)OC)C)SC1)C

Isomeric SMILES

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

InChI

InChI=1S/C22H25NO2S/c1-15-13-23(3)20-10-9-19(12-21(20)26-14-15)16(2)11-17-5-7-18(8-6-17)22(24)25-4/h5-12,15H,13-14H2,1-4H3/b16-11+