4-[2-(2,3-dihydro-1H-inden-5-ylsulfanyl)ethanoyl-methyl-amino]butanoic acid

Systemtic Name: 4-[2-(2,3-dihydro-1H-inden-5-ylsulfanyl)ethanoyl-methyl-amino]butanoic acid Openeye Name: 4-[(2-indan-5-ylsulfanylacetyl)-methyl-amino]butanoic acid CAS Name: 4-[[2-(2,3-dihydro-1H-inden-5-ylthio)-1-oxoethyl]-methylamino]butanoic acid IUPAC Name: 4-[[2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetyl]-methylamino]butanoic acid Traditional Name: 4-[[2-(indan-5-ylthio)acetyl]-methyl-amino]butyric acid Formula: C16H21NO3S MolecularWeight: 307.40784

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCC(=O)O)C(=O)CSC1=CC2=C(CCC2)C=C1

Isomeric SMILES

CN(CCCC(=O)O)C(=O)CSC1=CC2=C(CCC2)C=C1

InChI

InChI=1S/C16H21NO3S/c1-17(9-3-6-16(19)20)15(18)11-21-14-8-7-12-4-2-5-13(12)10-14/h7-8,10H,2-6,9,11H2,1H3,(H,19,20)