azanyl 2-[2-(2-ethanoylsulfanyl-3-phenyl-propanoyl)-4-oxidanylidene-2,3-dihydro-1,5-benzothiazepin-5-yl]ethanoate

Systemtic Name: azanyl 2-[2-(2-ethanoylsulfanyl-3-phenyl-propanoyl)-4-oxidanylidene-2,3-dihydro-1,5-benzothiazepin-5-yl]ethanoate Openeye Name: amino 2-[2-(2-acetylsulfanyl-3-phenyl-propanoyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl]acetate CAS Name: 2-[2-[2-(acetylthio)-1-oxo-3-phenylpropyl]-4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl]acetic acid amino ester IUPAC Name: amino 2-[2-(2-acetylsulfanyl-3-phenylpropanoyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl]acetate Traditional Name: 2-[2-[2-(acetylthio)-3-phenyl-propanoyl]-4-keto-2,3-dihydro-1,5-benzothiazepin-5-yl]acetic acid amino ester Formula: C22H22N2O5S2 MolecularWeight: 458.55048

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SC(CC1=CC=CC=C1)C(=O)C2CC(=O)N(C3=CC=CC=C3S2)CC(=O)ON

Isomeric SMILES

CC(=O)SC(CC1=CC=CC=C1)C(=O)C2CC(=O)N(C3=CC=CC=C3S2)CC(=O)ON

InChI

InChI=1S/C22H22N2O5S2/c1-14(25)30-18(11-15-7-3-2-4-8-15)22(28)19-12-20(26)24(13-21(27)29-23)16-9-5-6-10-17(16)31-19/h2-10,18-19H,11-13,23H2,1H3