[2-[(3,4-dimethylphenyl)carbamoylamino]-2-oxidanylidene-ethyl] (2R)-5-chloranyl-2,3-dihydro-1-benzofuran-2-carboxylate

Systemtic Name: [2-[(3,4-dimethylphenyl)carbamoylamino]-2-oxidanylidene-ethyl] (2R)-5-chloranyl-2,3-dihydro-1-benzofuran-2-carboxylate Openeye Name: [2-[(3,4-dimethylphenyl)carbamoylamino]-2-oxo-ethyl] (2R)-5-chloro-2,3-dihydrobenzofuran-2-carboxylate CAS Name: (2R)-5-chloro-2,3-dihydrobenzofuran-2-carboxylic acid [2-[[(3,4-dimethylanilino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[(3,4-dimethylphenyl)carbamoylamino]-2-oxoethyl] (2R)-5-chloro-2,3-dihydro-1-benzofuran-2-carboxylate Traditional Name: (2R)-5-chlorocoumaran-2-carboxylic acid [2-[(3,4-dimethylphenyl)carbamoylamino]-2-keto-ethyl] ester Formula: C20H19ClN2O5 MolecularWeight: 402.82826

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)NC(=O)COC(=O)C2CC3=C(O2)C=CC(=C3)Cl)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)NC(=O)COC(=O)[C@H]2CC3=C(O2)C=CC(=C3)Cl)C

InChI

InChI=1S/C20H19ClN2O5/c1-11-3-5-15(7-12(11)2)22-20(26)23-18(24)10-27-19(25)17-9-13-8-14(21)4-6-16(13)28-17/h3-8,17H,9-10H2,1-2H3,(H2,22,23,24,26)/t17-/m1/s1