methyl 2-[2-(2,3-dihydro-1H-inden-5-ylsulfanyl)ethanoylamino]-3-methyl-pentanoate

Systemtic Name: methyl 2-[2-(2,3-dihydro-1H-inden-5-ylsulfanyl)ethanoylamino]-3-methyl-pentanoate Openeye Name: methyl 2-[(2-indan-5-ylsulfanylacetyl)amino]-3-methyl-pentanoate CAS Name: 2-[[2-(2,3-dihydro-1H-inden-5-ylthio)-1-oxoethyl]amino]-3-methylpentanoic acid methyl ester IUPAC Name: methyl 2-[[2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetyl]amino]-3-methylpentanoate Traditional Name: 2-[[2-(indan-5-ylthio)acetyl]amino]-3-methyl-valeric acid methyl ester Formula: C18H25NO3S MolecularWeight: 335.461

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)OC)NC(=O)CSC1=CC2=C(CCC2)C=C1

Isomeric SMILES

CCC(C)C(C(=O)OC)NC(=O)CSC1=CC2=C(CCC2)C=C1

InChI

InChI=1S/C18H25NO3S/c1-4-12(2)17(18(21)22-3)19-16(20)11-23-15-9-8-13-6-5-7-14(13)10-15/h8-10,12,17H,4-7,11H2,1-3H3,(H,19,20)