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

Systemtic Name: 2-[4-[(E)-3-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-3-oxidanylidene-prop-1-enyl]-2-methoxy-phenoxy]ethanenitrile Openeye Name: 2-[4-[(E)-3-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-3-oxo-prop-1-enyl]-2-methoxy-phenoxy]acetonitrile CAS Name: 2-[4-[(E)-3-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-3-oxoprop-1-enyl]-2-methoxyphenoxy]acetonitrile IUPAC Name: 2-[4-[(E)-3-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-3-oxoprop-1-enyl]-2-methoxyphenoxy]acetonitrile Traditional Name: 2-[4-[(E)-3-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-3-keto-prop-1-enyl]-2-methoxy-phenoxy]acetonitrile Formula: C21H20N2O3S MolecularWeight: 380.4601

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=CC(=O)N2CCCSC3=CC=CC=C32)OCC#N

Isomeric SMILES

COC1=C(C=CC(=C1)/C=C/C(=O)N2CCCSC3=CC=CC=C32)OCC#N

InChI

InChI=1S/C21H20N2O3S/c1-25-19-15-16(7-9-18(19)26-13-11-22)8-10-21(24)23-12-4-14-27-20-6-3-2-5-17(20)23/h2-3,5-10,15H,4,12-14H2,1H3/b10-8+