[2-[(3-methoxyphenyl)methylamino]-2-oxidanylidene-ethyl] 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)ethanoate

Systemtic Name: [2-[(3-methoxyphenyl)methylamino]-2-oxidanylidene-ethyl] 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)ethanoate Openeye Name: [2-[(3-methoxyphenyl)methylamino]-2-oxo-ethyl] 2-indan-5-ylsulfanylacetate CAS Name: 2-(2,3-dihydro-1H-inden-5-ylthio)acetic acid [2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetate Traditional Name: 2-(indan-5-ylthio)acetic acid [2-keto-2-(m-anisylamino)ethyl] ester Formula: C21H23NO4S MolecularWeight: 385.47662

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CNC(=O)COC(=O)CSC2=CC3=C(CCC3)C=C2

Isomeric SMILES

COC1=CC=CC(=C1)CNC(=O)COC(=O)CSC2=CC3=C(CCC3)C=C2

InChI

InChI=1S/C21H23NO4S/c1-25-18-7-2-4-15(10-18)12-22-20(23)13-26-21(24)14-27-19-9-8-16-5-3-6-17(16)11-19/h2,4,7-11H,3,5-6,12-14H2,1H3,(H,22,23)