[(2R)-1-[(4-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)ethanoate

Systemtic Name: [(2R)-1-[(4-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)ethanoate Openeye Name: [(1R)-2-(4-cyanoanilino)-1-methyl-2-oxo-ethyl] 2-indan-5-ylsulfanylacetate CAS Name: 2-(2,3-dihydro-1H-inden-5-ylthio)acetic acid [(2R)-1-(4-cyanoanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(4-cyanoanilino)-1-oxopropan-2-yl] 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetate Traditional Name: 2-(indan-5-ylthio)acetic acid [(1R)-2-(4-cyanoanilino)-2-keto-1-methyl-ethyl] ester Formula: C21H20N2O3S MolecularWeight: 380.4601

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)C#N)OC(=O)CSC2=CC3=C(CCC3)C=C2

Isomeric SMILES

C[C@H](C(=O)NC1=CC=C(C=C1)C#N)OC(=O)CSC2=CC3=C(CCC3)C=C2

InChI

InChI=1S/C21H20N2O3S/c1-14(21(25)23-18-8-5-15(12-22)6-9-18)26-20(24)13-27-19-10-7-16-3-2-4-17(16)11-19/h5-11,14H,2-4,13H2,1H3,(H,23,25)/t14-/m1/s1