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

Systemtic Name: azanyl 2-[3-(3-cyclohexa-1,5-dien-1-yl-2-ethanoylsulfanyl-propanoyl)-4-oxidanylidene-2,3-dihydro-1,5-benzothiazepin-5-yl]ethanoate Openeye Name: amino 2-[3-(2-acetylsulfanyl-3-cyclohexa-1,5-dien-1-yl-propanoyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl]acetate CAS Name: 2-[3-[2-(acetylthio)-3-(1-cyclohexa-1,5-dienyl)-1-oxopropyl]-4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl]acetic acid amino ester IUPAC Name: amino 2-[3-(2-acetylsulfanyl-3-cyclohexa-1,5-dien-1-ylpropanoyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl]acetate Traditional Name: 2-[3-[2-(acetylthio)-3-cyclohexa-1,5-dien-1-yl-propanoyl]-4-keto-2,3-dihydro-1,5-benzothiazepin-5-yl]acetic acid amino ester Formula: C22H24N2O5S2 MolecularWeight: 460.56636

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24N2O5S2/c1-14(25)31-19(11-15-7-3-2-4-8-15)21(27)16-13-30-18-10-6-5-9-17(18)24(22(16)28)12-20(26)29-23/h3,5-10,16,19H,2,4,11-13,23H2,1H3