[(2S)-1-[(4-chloranyl-2-methoxy-5-methyl-phenyl)amino]-1-oxidanylidene-propan-2-yl] 3-(aminocarbonylamino)benzoate

Systemtic Name: [(2S)-1-[(4-chloranyl-2-methoxy-5-methyl-phenyl)amino]-1-oxidanylidene-propan-2-yl] 3-(aminocarbonylamino)benzoate Openeye Name: [(1S)-2-(4-chloro-2-methoxy-5-methyl-anilino)-1-methyl-2-oxo-ethyl] 3-ureidobenzoate CAS Name: 3-(carbamoylamino)benzoic acid [(2S)-1-(4-chloro-2-methoxy-5-methylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(4-chloro-2-methoxy-5-methylanilino)-1-oxopropan-2-yl] 3-(carbamoylamino)benzoate Traditional Name: 3-ureidobenzoic acid [(1S)-2-(4-chloro-2-methoxy-5-methyl-anilino)-2-keto-1-methyl-ethyl] ester Formula: C19H20ClN3O5 MolecularWeight: 405.8322

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Cl)OC)NC(=O)C(C)OC(=O)C2=CC(=CC=C2)NC(=O)N

Isomeric SMILES

CC1=CC(=C(C=C1Cl)OC)NC(=O)[C@H](C)OC(=O)C2=CC(=CC=C2)NC(=O)N

InChI

InChI=1S/C19H20ClN3O5/c1-10-7-15(16(27-3)9-14(10)20)23-17(24)11(2)28-18(25)12-5-4-6-13(8-12)22-19(21)26/h4-9,11H,1-3H3,(H,23,24)(H3,21,22,26)/t11-/m0/s1