[2-[[(3R)-1,1-bis(oxidanylidene)-2,3-dihydrothiophen-3-yl]-phenyl-amino]-2-oxidanylidene-ethyl] 2-[(3-methylphenyl)carbonylamino]ethanoate

Systemtic Name: [2-[[(3R)-1,1-bis(oxidanylidene)-2,3-dihydrothiophen-3-yl]-phenyl-amino]-2-oxidanylidene-ethyl] 2-[(3-methylphenyl)carbonylamino]ethanoate Openeye Name: [2-(N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]anilino)-2-oxo-ethyl] 2-[(3-methylbenzoyl)amino]acetate CAS Name: 2-[[(3-methylphenyl)-oxomethyl]amino]acetic acid [2-(N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]anilino)-2-oxoethyl] ester IUPAC Name: [2-(N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]anilino)-2-oxoethyl] 2-[(3-methylbenzoyl)amino]acetate Traditional Name: 2-(m-toluoylamino)acetic acid [2-(N-[(3R)-1,1-diketo-2,3-dihydrothiophen-3-yl]anilino)-2-keto-ethyl] ester Formula: C22H22N2O6S MolecularWeight: 442.48488

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NCC(=O)OCC(=O)N(C2CS(=O)(=O)C=C2)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)NCC(=O)OCC(=O)N([C@H]2CS(=O)(=O)C=C2)C3=CC=CC=C3

InChI

InChI=1S/C22H22N2O6S/c1-16-6-5-7-17(12-16)22(27)23-13-21(26)30-14-20(25)24(18-8-3-2-4-9-18)19-10-11-31(28,29)15-19/h2-12,19H,13-15H2,1H3,(H,23,27)/t19-/m1/s1