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

Systemtic Name: [2-[(4-aminocarbonylphenyl)amino]-2-oxidanylidene-ethyl] 5-[(3S)-1,2-dithiolan-3-yl]pentanoate Openeye Name: [2-(4-carbamoylanilino)-2-oxo-ethyl] 5-[(3S)-dithiolan-3-yl]pentanoate CAS Name: 5-[(3S)-3-dithiolanyl]pentanoic acid [2-(4-carbamoylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-carbamoylanilino)-2-oxoethyl] 5-[(3S)-dithiolan-3-yl]pentanoate Traditional Name: 5-[(3S)-dithiolan-3-yl]valeric acid [2-(4-carbamoylanilino)-2-keto-ethyl] ester Formula: C17H22N2O4S2 MolecularWeight: 382.49758

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Descriptors Computed from Structure

Canonical SMILES:

C1CSSC1CCCCC(=O)OCC(=O)NC2=CC=C(C=C2)C(=O)N

Isomeric SMILES

C1CSS[C@H]1CCCCC(=O)OCC(=O)NC2=CC=C(C=C2)C(=O)N

InChI

InChI=1S/C17H22N2O4S2/c18-17(22)12-5-7-13(8-6-12)19-15(20)11-23-16(21)4-2-1-3-14-9-10-24-25-14/h5-8,14H,1-4,9-11H2,(H2,18,22)(H,19,20)/t14-/m0/s1