[2-[(4-dimethylaminophenyl)amino]-2-oxidanylidene-ethyl] 5-[(3S)-1,2-dithiolan-3-yl]pentanoate

Systemtic Name: [2-[(4-dimethylaminophenyl)amino]-2-oxidanylidene-ethyl] 5-[(3S)-1,2-dithiolan-3-yl]pentanoate Openeye Name: [2-[4-(dimethylamino)anilino]-2-oxo-ethyl] 5-[(3S)-dithiolan-3-yl]pentanoate CAS Name: 5-[(3S)-3-dithiolanyl]pentanoic acid [2-[4-(dimethylamino)anilino]-2-oxoethyl] ester IUPAC Name: [2-[4-(dimethylamino)anilino]-2-oxoethyl] 5-[(3S)-dithiolan-3-yl]pentanoate Traditional Name: 5-[(3S)-dithiolan-3-yl]valeric acid [2-[4-(dimethylamino)anilino]-2-keto-ethyl] ester Formula: C18H26N2O3S2 MolecularWeight: 382.54064

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)NC(=O)COC(=O)CCCCC2CCSS2

Isomeric SMILES

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

InChI

InChI=1S/C18H26N2O3S2/c1-20(2)15-9-7-14(8-10-15)19-17(21)13-23-18(22)6-4-3-5-16-11-12-24-25-16/h7-10,16H,3-6,11-13H2,1-2H3,(H,19,21)/t16-/m0/s1