2-[2-methoxy-4-[(E)-3-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-3-oxidanylidene-prop-1-enyl]phenoxy]ethanenitrile

Systemtic Name: 2-[2-methoxy-4-[(E)-3-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-3-oxidanylidene-prop-1-enyl]phenoxy]ethanenitrile Openeye Name: 2-[2-methoxy-4-[(E)-3-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-3-oxo-prop-1-enyl]phenoxy]acetonitrile CAS Name: 2-[2-methoxy-4-[(E)-3-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-3-oxoprop-1-enyl]phenoxy]acetonitrile IUPAC Name: 2-[2-methoxy-4-[(E)-3-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-3-oxoprop-1-enyl]phenoxy]acetonitrile Traditional Name: 2-[4-[(E)-3-keto-3-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)prop-1-enyl]-2-methoxy-phenoxy]acetonitrile Formula: C22H22N2O3S MolecularWeight: 394.48668

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(C2=CC=CC=C2S1)C(=O)C=CC3=CC(=C(C=C3)OCC#N)OC

Isomeric SMILES

CC1CCN(C2=CC=CC=C2S1)C(=O)/C=C/C3=CC(=C(C=C3)OCC#N)OC

InChI

InChI=1S/C22H22N2O3S/c1-16-11-13-24(18-5-3-4-6-21(18)28-16)22(25)10-8-17-7-9-19(27-14-12-23)20(15-17)26-2/h3-10,15-16H,11,13-14H2,1-2H3/b10-8+