[(2S)-1-[(4-ethylphenyl)amino]-1-oxidanylidene-propan-2-yl] 6-chloranyl-4-oxidanylidene-chromene-2-carboxylate

Systemtic Name: [(2S)-1-[(4-ethylphenyl)amino]-1-oxidanylidene-propan-2-yl] 6-chloranyl-4-oxidanylidene-chromene-2-carboxylate Openeye Name: [(1S)-2-(4-ethylanilino)-1-methyl-2-oxo-ethyl] 6-chloro-4-oxo-chromene-2-carboxylate CAS Name: 6-chloro-4-oxo-1-benzopyran-2-carboxylic acid [(2S)-1-(4-ethylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(4-ethylanilino)-1-oxopropan-2-yl] 6-chloro-4-oxochromene-2-carboxylate Traditional Name: 6-chloro-4-keto-chromene-2-carboxylic acid [(1S)-2-(4-ethylanilino)-2-keto-1-methyl-ethyl] ester Formula: C21H18ClNO5 MolecularWeight: 399.82432

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)C(C)OC(=O)C2=CC(=O)C3=C(O2)C=CC(=C3)Cl

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)[C@H](C)OC(=O)C2=CC(=O)C3=C(O2)C=CC(=C3)Cl

InChI

InChI=1S/C21H18ClNO5/c1-3-13-4-7-15(8-5-13)23-20(25)12(2)27-21(26)19-11-17(24)16-10-14(22)6-9-18(16)28-19/h4-12H,3H2,1-2H3,(H,23,25)/t12-/m0/s1