3-ethoxy-4-[2-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-oxidanylidene-ethoxy]benzenecarbonitrile

Systemtic Name: 3-ethoxy-4-[2-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-oxidanylidene-ethoxy]benzenecarbonitrile Openeye Name: 3-ethoxy-4-[2-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-oxo-ethoxy]benzonitrile CAS Name: 3-ethoxy-4-[2-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-oxoethoxy]benzonitrile IUPAC Name: 3-ethoxy-4-[2-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-oxoethoxy]benzonitrile Traditional Name: 3-ethoxy-4-[2-keto-2-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)ethoxy]benzonitrile Formula: C21H22N2O3S MolecularWeight: 382.47598

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C#N)OCC(=O)N2CCC(SC3=CC=CC=C32)C

Isomeric SMILES

CCOC1=C(C=CC(=C1)C#N)OCC(=O)N2CCC(SC3=CC=CC=C32)C

InChI

InChI=1S/C21H22N2O3S/c1-3-25-19-12-16(13-22)8-9-18(19)26-14-21(24)23-11-10-15(2)27-20-7-5-4-6-17(20)23/h4-9,12,15H,3,10-11,14H2,1-2H3