[(2S)-1-(2,3-dihydro-1H-inden-5-ylamino)-1-oxidanylidene-propan-2-yl] 2-(2-oxidanylidenepropylsulfanyl)benzoate

Systemtic Name: [(2S)-1-(2,3-dihydro-1H-inden-5-ylamino)-1-oxidanylidene-propan-2-yl] 2-(2-oxidanylidenepropylsulfanyl)benzoate Openeye Name: [(1S)-2-(indan-5-ylamino)-1-methyl-2-oxo-ethyl] 2-acetonylsulfanylbenzoate CAS Name: 2-(2-oxopropylthio)benzoic acid [(2S)-1-(2,3-dihydro-1H-inden-5-ylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(2,3-dihydro-1H-inden-5-ylamino)-1-oxopropan-2-yl] 2-(2-oxopropylsulfanyl)benzoate Traditional Name: 2-(acetonylthio)benzoic acid [(1S)-2-(indan-5-ylamino)-2-keto-1-methyl-ethyl] ester Formula: C22H23NO4S MolecularWeight: 397.48732

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC2=C(CCC2)C=C1)OC(=O)C3=CC=CC=C3SCC(=O)C

Isomeric SMILES

C[C@@H](C(=O)NC1=CC2=C(CCC2)C=C1)OC(=O)C3=CC=CC=C3SCC(=O)C

InChI

InChI=1S/C22H23NO4S/c1-14(24)13-28-20-9-4-3-8-19(20)22(26)27-15(2)21(25)23-18-11-10-16-6-5-7-17(16)12-18/h3-4,8-12,15H,5-7,13H2,1-2H3,(H,23,25)/t15-/m0/s1