[2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxidanylidene-ethyl] 4-(1,3-dithiolan-2-yl)benzoate

Systemtic Name: [2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxidanylidene-ethyl] 4-(1,3-dithiolan-2-yl)benzoate Openeye Name: [2-[[(1S)-1-methylpropyl]carbamoylamino]-2-oxo-ethyl] 4-(1,3-dithiolan-2-yl)benzoate CAS Name: 4-(1,3-dithiolan-2-yl)benzoic acid [2-[[[[(2S)-butan-2-yl]amino]-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxoethyl] 4-(1,3-dithiolan-2-yl)benzoate Traditional Name: 4-(1,3-dithiolan-2-yl)benzoic acid [2-keto-2-[[(1S)-1-methylpropyl]carbamoylamino]ethyl] ester Formula: C17H22N2O4S2 MolecularWeight: 382.49758

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)NC(=O)COC(=O)C1=CC=C(C=C1)C2SCCS2

Isomeric SMILES

CC[C@H](C)NC(=O)NC(=O)COC(=O)C1=CC=C(C=C1)C2SCCS2

InChI

InChI=1S/C17H22N2O4S2/c1-3-11(2)18-17(22)19-14(20)10-23-15(21)12-4-6-13(7-5-12)16-24-8-9-25-16/h4-7,11,16H,3,8-10H2,1-2H3,(H2,18,19,20,22)/t11-/m0/s1