[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxidanylidene-ethyl] 5-[(3S)-1,2-dithiolan-3-yl]pentanoate

Systemtic Name: [2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxidanylidene-ethyl] 5-[(3S)-1,2-dithiolan-3-yl]pentanoate Openeye Name: [2-(indan-5-ylamino)-2-oxo-ethyl] 5-[(3S)-dithiolan-3-yl]pentanoate CAS Name: 5-[(3S)-3-dithiolanyl]pentanoic acid [2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl] 5-[(3S)-dithiolan-3-yl]pentanoate Traditional Name: 5-[(3S)-dithiolan-3-yl]valeric acid [2-(indan-5-ylamino)-2-keto-ethyl] ester Formula: C19H25NO3S2 MolecularWeight: 379.5367

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C1)C=C(C=C2)NC(=O)COC(=O)CCCCC3CCSS3

Isomeric SMILES

C1CC2=C(C1)C=C(C=C2)NC(=O)COC(=O)CCCC[C@H]3CCSS3

InChI

InChI=1S/C19H25NO3S2/c21-18(20-16-9-8-14-4-3-5-15(14)12-16)13-23-19(22)7-2-1-6-17-10-11-24-25-17/h8-9,12,17H,1-7,10-11,13H2,(H,20,21)/t17-/m0/s1