[(2R)-1-azanyl-1-oxidanylidene-propan-2-yl] 2-[2-[(4-methoxycarbonylphenyl)amino]-2-oxidanylidene-ethyl]sulfanylbenzoate

Systemtic Name: [(2R)-1-azanyl-1-oxidanylidene-propan-2-yl] 2-[2-[(4-methoxycarbonylphenyl)amino]-2-oxidanylidene-ethyl]sulfanylbenzoate Openeye Name: [(1R)-2-amino-1-methyl-2-oxo-ethyl] 2-[2-(4-methoxycarbonylanilino)-2-oxo-ethyl]sulfanylbenzoate CAS Name: 2-[[2-(4-methoxycarbonylanilino)-2-oxoethyl]thio]benzoic acid [(2R)-1-amino-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-amino-1-oxopropan-2-yl] 2-[2-(4-methoxycarbonylanilino)-2-oxoethyl]sulfanylbenzoate Traditional Name: 2-[[2-(4-carbomethoxyanilino)-2-keto-ethyl]thio]benzoic acid [(1R)-2-amino-2-keto-1-methyl-ethyl] ester Formula: C20H20N2O6S MolecularWeight: 416.4476

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N)OC(=O)C1=CC=CC=C1SCC(=O)NC2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

C[C@H](C(=O)N)OC(=O)C1=CC=CC=C1SCC(=O)NC2=CC=C(C=C2)C(=O)OC

InChI

InChI=1S/C20H20N2O6S/c1-12(18(21)24)28-20(26)15-5-3-4-6-16(15)29-11-17(23)22-14-9-7-13(8-10-14)19(25)27-2/h3-10,12H,11H2,1-2H3,(H2,21,24)(H,22,23)/t12-/m1/s1