[4-(1,3-dithiolan-2-yl)phenyl] 2-[furan-2-ylmethyl-(4-methylphenyl)sulfonyl-amino]ethanoate

Systemtic Name: [4-(1,3-dithiolan-2-yl)phenyl] 2-[furan-2-ylmethyl-(4-methylphenyl)sulfonyl-amino]ethanoate Openeye Name: [4-(1,3-dithiolan-2-yl)phenyl] 2-[2-furylmethyl(p-tolylsulfonyl)amino]acetate CAS Name: 2-[2-furanylmethyl-(4-methylphenyl)sulfonylamino]acetic acid [4-(1,3-dithiolan-2-yl)phenyl] ester IUPAC Name: [4-(1,3-dithiolan-2-yl)phenyl] 2-[furan-2-ylmethyl-(4-methylphenyl)sulfonylamino]acetate Traditional Name: 2-[2-furfuryl(tosyl)amino]acetic acid [4-(1,3-dithiolan-2-yl)phenyl] ester Formula: C23H23NO5S3 MolecularWeight: 489.62742

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(CC2=CC=CO2)CC(=O)OC3=CC=C(C=C3)C4SCCS4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(CC2=CC=CO2)CC(=O)OC3=CC=C(C=C3)C4SCCS4

InChI

InChI=1S/C23H23NO5S3/c1-17-4-10-21(11-5-17)32(26,27)24(15-20-3-2-12-28-20)16-22(25)29-19-8-6-18(7-9-19)23-30-13-14-31-23/h2-12,23H,13-16H2,1H3