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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CSSC1CCCCC(=O)OCC(=O)NC(=O)NC2=CC=CC=C2

Isomeric SMILES

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

InChI

InChI=1S/C17H22N2O4S2/c20-15(19-17(22)18-13-6-2-1-3-7-13)12-23-16(21)9-5-4-8-14-10-11-24-25-14/h1-3,6-7,14H,4-5,8-12H2,(H2,18,19,20,22)/t14-/m0/s1