4-[(2R,3R)-3-oxidanyl-4-oxidanylidene-5-(2-piperidin-1-ylethyl)-2,3-dihydro-1,5-benzothiazepin-2-yl]benzenecarbonitrile

Systemtic Name: 4-[(2R,3R)-3-oxidanyl-4-oxidanylidene-5-(2-piperidin-1-ylethyl)-2,3-dihydro-1,5-benzothiazepin-2-yl]benzenecarbonitrile Openeye Name: 4-[(2R,3R)-3-hydroxy-4-oxo-5-[2-(1-piperidyl)ethyl]-2,3-dihydro-1,5-benzothiazepin-2-yl]benzonitrile CAS Name: 4-[(2R,3R)-3-hydroxy-4-oxo-5-[2-(1-piperidinyl)ethyl]-2,3-dihydro-1,5-benzothiazepin-2-yl]benzonitrile IUPAC Name: 4-[(2R,3R)-3-hydroxy-4-oxo-5-(2-piperidin-1-ylethyl)-2,3-dihydro-1,5-benzothiazepin-2-yl]benzonitrile Traditional Name: 4-[(2R,3R)-3-hydroxy-4-keto-5-(2-piperidinoethyl)-2,3-dihydro-1,5-benzothiazepin-2-yl]benzonitrile Formula: C23H25N3O2S MolecularWeight: 407.5285

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CCN2C3=CC=CC=C3SC(C(C2=O)O)C4=CC=C(C=C4)C#N

Isomeric SMILES

C1CCN(CC1)CCN2C3=CC=CC=C3S[C@@H]([C@@H](C2=O)O)C4=CC=C(C=C4)C#N

InChI

InChI=1S/C23H25N3O2S/c24-16-17-8-10-18(11-9-17)22-21(27)23(28)26(15-14-25-12-4-1-5-13-25)19-6-2-3-7-20(19)29-22/h2-3,6-11,21-22,27H,1,4-5,12-15H2/t21-,22+/m0/s1