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

Systemtic Name: [2-oxidanylidene-2-[(4-pyrrolidin-1-ylphenyl)amino]ethyl] 5-[(3S)-1,2-dithiolan-3-yl]pentanoate Openeye Name: [2-oxo-2-(4-pyrrolidin-1-ylanilino)ethyl] 5-[(3S)-dithiolan-3-yl]pentanoate CAS Name: 5-[(3S)-3-dithiolanyl]pentanoic acid [2-oxo-2-[4-(1-pyrrolidinyl)anilino]ethyl] ester IUPAC Name: [2-oxo-2-(4-pyrrolidin-1-ylanilino)ethyl] 5-[(3S)-dithiolan-3-yl]pentanoate Traditional Name: 5-[(3S)-dithiolan-3-yl]valeric acid [2-keto-2-(4-pyrrolidinoanilino)ethyl] ester Formula: C20H28N2O3S2 MolecularWeight: 408.57792

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=CC=C(C=C2)NC(=O)COC(=O)CCCCC3CCSS3

Isomeric SMILES

C1CCN(C1)C2=CC=C(C=C2)NC(=O)COC(=O)CCCC[C@H]3CCSS3

InChI

InChI=1S/C20H28N2O3S2/c23-19(15-25-20(24)6-2-1-5-18-11-14-26-27-18)21-16-7-9-17(10-8-16)22-12-3-4-13-22/h7-10,18H,1-6,11-15H2,(H,21,23)/t18-/m0/s1