azanyl 2-[2-ethanoylsulfanyl-1,5-bis(oxidanylidene)-6-(3-phenylpropyl)-1,4-thiazepan-4-yl]ethanoate

Systemtic Name: azanyl 2-[2-ethanoylsulfanyl-1,5-bis(oxidanylidene)-6-(3-phenylpropyl)-1,4-thiazepan-4-yl]ethanoate Openeye Name: amino 2-[2-acetylsulfanyl-1,5-dioxo-6-(3-phenylpropyl)-1,4-thiazepan-4-yl]acetate CAS Name: 2-[2-(acetylthio)-1,5-dioxo-6-(3-phenylpropyl)-1,4-thiazepan-4-yl]acetic acid amino ester IUPAC Name: amino 2-[2-acetylsulfanyl-1,5-dioxo-6-(3-phenylpropyl)-1,4-thiazepan-4-yl]acetate Traditional Name: 2-[2-(acetylthio)-1,5-diketo-6-(3-phenylpropyl)-1,4-thiazepan-4-yl]acetic acid amino ester Formula: C18H24N2O5S2 MolecularWeight: 412.52356

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SC1CN(C(=O)C(CS1=O)CCCC2=CC=CC=C2)CC(=O)ON

Isomeric SMILES

CC(=O)SC1CN(C(=O)C(CS1=O)CCCC2=CC=CC=C2)CC(=O)ON

InChI

InChI=1S/C18H24N2O5S2/c1-13(21)26-17-11-20(10-16(22)25-19)18(23)15(12-27(17)24)9-5-8-14-6-3-2-4-7-14/h2-4,6-7,15,17H,5,8-12,19H2,1H3