methyl 4-methyl-3-[[2-[2-oxidanylidene-2-(propan-2-ylamino)ethyl]sulfanylphenyl]carbonylamino]benzoate

Systemtic Name: methyl 4-methyl-3-[[2-[2-oxidanylidene-2-(propan-2-ylamino)ethyl]sulfanylphenyl]carbonylamino]benzoate Openeye Name: methyl 3-[[2-[2-(isopropylamino)-2-oxo-ethyl]sulfanylbenzoyl]amino]-4-methyl-benzoate CAS Name: 4-methyl-3-[[oxo-[2-[[2-oxo-2-(propan-2-ylamino)ethyl]thio]phenyl]methyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-methyl-3-[[2-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanylbenzoyl]amino]benzoate Traditional Name: 3-[[2-[[2-(isopropylamino)-2-keto-ethyl]thio]benzoyl]amino]-4-methyl-benzoic acid methyl ester Formula: C21H24N2O4S MolecularWeight: 400.49126

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)C2=CC=CC=C2SCC(=O)NC(C)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)C2=CC=CC=C2SCC(=O)NC(C)C

InChI

InChI=1S/C21H24N2O4S/c1-13(2)22-19(24)12-28-18-8-6-5-7-16(18)20(25)23-17-11-15(21(26)27-4)10-9-14(17)3/h5-11,13H,12H2,1-4H3,(H,22,24)(H,23,25)