2-azanyl-2-(2,3-dihydro-1H-inden-1-yl)-3-ethanoylsulfanyl-4-oxidanylidene-hexanoic acid

Systemtic Name: 2-azanyl-2-(2,3-dihydro-1H-inden-1-yl)-3-ethanoylsulfanyl-4-oxidanylidene-hexanoic acid Openeye Name: 3-acetylsulfanyl-2-amino-2-indan-1-yl-4-oxo-hexanoic acid CAS Name: 3-(acetylthio)-2-amino-2-(2,3-dihydro-1H-inden-1-yl)-4-oxohexanoic acid IUPAC Name: 3-acetylsulfanyl-2-amino-2-(2,3-dihydro-1H-inden-1-yl)-4-oxohexanoic acid Traditional Name: 3-(acetylthio)-2-amino-2-indan-1-yl-4-keto-hexanoic acid Formula: C17H21NO4S MolecularWeight: 335.41794

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C(C(C1CCC2=CC=CC=C12)(C(=O)O)N)SC(=O)C

Isomeric SMILES

CCC(=O)C(C(C1CCC2=CC=CC=C12)(C(=O)O)N)SC(=O)C

InChI

InChI=1S/C17H21NO4S/c1-3-14(20)15(23-10(2)19)17(18,16(21)22)13-9-8-11-6-4-5-7-12(11)13/h4-7,13,15H,3,8-9,18H2,1-2H3,(H,21,22)