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

Systemtic Name: methyl 4-[[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxidanylidene-ethyl]sulfanylmethyl]benzoate Openeye Name: methyl 4-[[2-(indan-5-ylamino)-2-oxo-ethyl]sulfanylmethyl]benzoate CAS Name: 4-[[[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl]thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl]sulfanylmethyl]benzoate Traditional Name: 4-[[[2-(indan-5-ylamino)-2-keto-ethyl]thio]methyl]benzoic acid methyl ester Formula: C20H21NO3S MolecularWeight: 355.45064

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CSCC(=O)NC2=CC3=C(CCC3)C=C2

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CSCC(=O)NC2=CC3=C(CCC3)C=C2

InChI

InChI=1S/C20H21NO3S/c1-24-20(23)16-7-5-14(6-8-16)12-25-13-19(22)21-18-10-9-15-3-2-4-17(15)11-18/h5-11H,2-4,12-13H2,1H3,(H,21,22)