methyl 4-[[1-(2,3-dihydro-1H-inden-5-ylamino)-1-oxidanylidene-propan-2-yl]sulfanylmethyl]benzoate

Systemtic Name: methyl 4-[[1-(2,3-dihydro-1H-inden-5-ylamino)-1-oxidanylidene-propan-2-yl]sulfanylmethyl]benzoate Openeye Name: methyl 4-[[2-(indan-5-ylamino)-1-methyl-2-oxo-ethyl]sulfanylmethyl]benzoate CAS Name: 4-[[[1-(2,3-dihydro-1H-inden-5-ylamino)-1-oxopropan-2-yl]thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[1-(2,3-dihydro-1H-inden-5-ylamino)-1-oxopropan-2-yl]sulfanylmethyl]benzoate Traditional Name: 4-[[[2-(indan-5-ylamino)-2-keto-1-methyl-ethyl]thio]methyl]benzoic acid methyl ester Formula: C21H23NO3S MolecularWeight: 369.47722

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC2=C(CCC2)C=C1)SCC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CC(C(=O)NC1=CC2=C(CCC2)C=C1)SCC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C21H23NO3S/c1-14(26-13-15-6-8-17(9-7-15)21(24)25-2)20(23)22-19-11-10-16-4-3-5-18(16)12-19/h6-12,14H,3-5,13H2,1-2H3,(H,22,23)