[2-[(2-ethanoylphenyl)amino]-2-oxidanylidene-ethyl] 5-[(3S)-1,2-dithiolan-3-yl]pentanoate

Systemtic Name: [2-[(2-ethanoylphenyl)amino]-2-oxidanylidene-ethyl] 5-[(3S)-1,2-dithiolan-3-yl]pentanoate Openeye Name: [2-(2-acetylanilino)-2-oxo-ethyl] 5-[(3S)-dithiolan-3-yl]pentanoate CAS Name: 5-[(3S)-3-dithiolanyl]pentanoic acid [2-(2-acetylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-acetylanilino)-2-oxoethyl] 5-[(3S)-dithiolan-3-yl]pentanoate Traditional Name: 5-[(3S)-dithiolan-3-yl]valeric acid [2-(2-acetylanilino)-2-keto-ethyl] ester Formula: C18H23NO4S2 MolecularWeight: 381.50952

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=CC=C1NC(=O)COC(=O)CCCCC2CCSS2

Isomeric SMILES

CC(=O)C1=CC=CC=C1NC(=O)COC(=O)CCCC[C@H]2CCSS2

InChI

InChI=1S/C18H23NO4S2/c1-13(20)15-7-3-4-8-16(15)19-17(21)12-23-18(22)9-5-2-6-14-10-11-24-25-14/h3-4,7-8,14H,2,5-6,9-12H2,1H3,(H,19,21)/t14-/m0/s1