[2-[(3-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl] 4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]benzoate

Systemtic Name: [2-[(3-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl] 4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]benzoate Openeye Name: [2-(3-methylsulfanylanilino)-2-oxo-ethyl] 4-[(tert-butoxycarbonylamino)methyl]benzoate CAS Name: 4-[[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]methyl]benzoic acid [2-[3-(methylthio)anilino]-2-oxoethyl] ester IUPAC Name: [2-(3-methylsulfanylanilino)-2-oxoethyl] 4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]benzoate Traditional Name: 4-[(tert-butoxycarbonylamino)methyl]benzoic acid [2-keto-2-[3-(methylthio)anilino]ethyl] ester Formula: C22H26N2O5S MolecularWeight: 430.51724

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCC1=CC=C(C=C1)C(=O)OCC(=O)NC2=CC(=CC=C2)SC

Isomeric SMILES

CC(C)(C)OC(=O)NCC1=CC=C(C=C1)C(=O)OCC(=O)NC2=CC(=CC=C2)SC

InChI

InChI=1S/C22H26N2O5S/c1-22(2,3)29-21(27)23-13-15-8-10-16(11-9-15)20(26)28-14-19(25)24-17-6-5-7-18(12-17)30-4/h5-12H,13-14H2,1-4H3,(H,23,27)(H,24,25)