[2-(1-methyl-2-oxidanylidene-3H-indol-5-yl)-2-oxidanylidene-ethyl] (3S)-6-chloranyl-3,4-dihydro-2H-chromene-3-carboxylate

Systemtic Name: [2-(1-methyl-2-oxidanylidene-3H-indol-5-yl)-2-oxidanylidene-ethyl] (3S)-6-chloranyl-3,4-dihydro-2H-chromene-3-carboxylate Openeye Name: [2-(1-methyl-2-oxo-indolin-5-yl)-2-oxo-ethyl] (3S)-6-chlorochromane-3-carboxylate CAS Name: (3S)-6-chloro-3,4-dihydro-2H-1-benzopyran-3-carboxylic acid [2-(1-methyl-2-oxo-3H-indol-5-yl)-2-oxoethyl] ester IUPAC Name: [2-(1-methyl-2-oxo-3H-indol-5-yl)-2-oxoethyl] (3S)-6-chloro-3,4-dihydro-2H-chromene-3-carboxylate Traditional Name: (3S)-6-chlorochroman-3-carboxylic acid [2-keto-2-(2-keto-1-methyl-indolin-5-yl)ethyl] ester Formula: C21H18ClNO5 MolecularWeight: 399.82432

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)CC2=C1C=CC(=C2)C(=O)COC(=O)C3CC4=C(C=CC(=C4)Cl)OC3

Isomeric SMILES

CN1C(=O)CC2=C1C=CC(=C2)C(=O)COC(=O)[C@H]3CC4=C(C=CC(=C4)Cl)OC3

InChI

InChI=1S/C21H18ClNO5/c1-23-17-4-2-12(6-13(17)9-20(23)25)18(24)11-28-21(26)15-7-14-8-16(22)3-5-19(14)27-10-15/h2-6,8,15H,7,9-11H2,1H3/t15-/m0/s1