[2-[(2-methoxycarbonylphenyl)amino]-2-oxidanylidene-ethyl] (3S)-6-chloranyl-3,4-dihydro-2H-chromene-3-carboxylate

Systemtic Name: [2-[(2-methoxycarbonylphenyl)amino]-2-oxidanylidene-ethyl] (3S)-6-chloranyl-3,4-dihydro-2H-chromene-3-carboxylate Openeye Name: [2-(2-methoxycarbonylanilino)-2-oxo-ethyl] (3S)-6-chlorochromane-3-carboxylate CAS Name: (3S)-6-chloro-3,4-dihydro-2H-1-benzopyran-3-carboxylic acid [2-(2-methoxycarbonylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-methoxycarbonylanilino)-2-oxoethyl] (3S)-6-chloro-3,4-dihydro-2H-chromene-3-carboxylate Traditional Name: (3S)-6-chlorochroman-3-carboxylic acid [2-(2-carbomethoxyanilino)-2-keto-ethyl] ester Formula: C20H18ClNO6 MolecularWeight: 403.81302

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1NC(=O)COC(=O)C2CC3=C(C=CC(=C3)Cl)OC2

Isomeric SMILES

COC(=O)C1=CC=CC=C1NC(=O)COC(=O)[C@H]2CC3=C(C=CC(=C3)Cl)OC2

InChI

InChI=1S/C20H18ClNO6/c1-26-20(25)15-4-2-3-5-16(15)22-18(23)11-28-19(24)13-8-12-9-14(21)6-7-17(12)27-10-13/h2-7,9,13H,8,10-11H2,1H3,(H,22,23)/t13-/m0/s1