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

Systemtic Name: [2-[4-(2-acetamidoethyl)phenyl]-2-oxidanylidene-ethyl] 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)ethanoate Openeye Name: [2-[4-(2-acetamidoethyl)phenyl]-2-oxo-ethyl] 2-indan-5-ylsulfanylacetate CAS Name: 2-(2,3-dihydro-1H-inden-5-ylthio)acetic acid [2-[4-(2-acetamidoethyl)phenyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(2-acetamidoethyl)phenyl]-2-oxoethyl] 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetate Traditional Name: 2-(indan-5-ylthio)acetic acid [2-[4-(2-acetamidoethyl)phenyl]-2-keto-ethyl] ester Formula: C23H25NO4S MolecularWeight: 411.5139

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCC1=CC=C(C=C1)C(=O)COC(=O)CSC2=CC3=C(CCC3)C=C2

Isomeric SMILES

CC(=O)NCCC1=CC=C(C=C1)C(=O)COC(=O)CSC2=CC3=C(CCC3)C=C2

InChI

InChI=1S/C23H25NO4S/c1-16(25)24-12-11-17-5-7-19(8-6-17)22(26)14-28-23(27)15-29-21-10-9-18-3-2-4-20(18)13-21/h5-10,13H,2-4,11-12,14-15H2,1H3,(H,24,25)