azanyl 3-[3-(3-cyclohexa-1,5-dien-1-yl-2-ethanoylsulfanyl-propanoyl)-4-oxidanylidene-2,3-dihydro-1,5-benzothiazepin-5-yl]propanoate

Systemtic Name: azanyl 3-[3-(3-cyclohexa-1,5-dien-1-yl-2-ethanoylsulfanyl-propanoyl)-4-oxidanylidene-2,3-dihydro-1,5-benzothiazepin-5-yl]propanoate Openeye Name: amino 3-[3-(2-acetylsulfanyl-3-cyclohexa-1,5-dien-1-yl-propanoyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl]propanoate CAS Name: 3-[3-[2-(acetylthio)-3-(1-cyclohexa-1,5-dienyl)-1-oxopropyl]-4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl]propanoic acid amino ester IUPAC Name: amino 3-[3-(2-acetylsulfanyl-3-cyclohexa-1,5-dien-1-ylpropanoyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl]propanoate Traditional Name: 3-[3-[2-(acetylthio)-3-cyclohexa-1,5-dien-1-yl-propanoyl]-4-keto-2,3-dihydro-1,5-benzothiazepin-5-yl]propionic acid amino ester Formula: C23H26N2O5S2 MolecularWeight: 474.59294

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SC(CC1=CCCC=C1)C(=O)C2CSC3=CC=CC=C3N(C2=O)CCC(=O)ON

Isomeric SMILES

CC(=O)SC(CC1=CCCC=C1)C(=O)C2CSC3=CC=CC=C3N(C2=O)CCC(=O)ON

InChI

InChI=1S/C23H26N2O5S2/c1-15(26)32-20(13-16-7-3-2-4-8-16)22(28)17-14-31-19-10-6-5-9-18(19)25(23(17)29)12-11-21(27)30-24/h3,5-10,17,20H,2,4,11-14,24H2,1H3