[2-[(4-dimethylaminophenyl)methylamino]-2-oxidanylidene-ethyl] 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)ethanoate

Systemtic Name: [2-[(4-dimethylaminophenyl)methylamino]-2-oxidanylidene-ethyl] 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)ethanoate Openeye Name: [2-[(4-dimethylaminophenyl)methylamino]-2-oxo-ethyl] 2-indan-5-ylsulfanylacetate CAS Name: 2-(2,3-dihydro-1H-inden-5-ylthio)acetic acid [2-[(4-dimethylaminophenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(4-dimethylaminophenyl)methylamino]-2-oxoethyl] 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetate Traditional Name: 2-(indan-5-ylthio)acetic acid [2-[[4-(dimethylamino)benzyl]amino]-2-keto-ethyl] ester Formula: C22H26N2O3S MolecularWeight: 398.51844

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N2O3S/c1-24(2)19-9-6-16(7-10-19)13-23-21(25)14-27-22(26)15-28-20-11-8-17-4-3-5-18(17)12-20/h6-12H,3-5,13-15H2,1-2H3,(H,23,25)