[2-[(5-methoxycarbonyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl] (3S)-6-chloranyl-3,4-dihydro-2H-chromene-3-carboxylate

Systemtic Name: [2-[(5-methoxycarbonyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl] (3S)-6-chloranyl-3,4-dihydro-2H-chromene-3-carboxylate Openeye Name: [2-(5-methoxycarbonyl-2-methyl-anilino)-2-oxo-ethyl] (3S)-6-chlorochromane-3-carboxylate CAS Name: (3S)-6-chloro-3,4-dihydro-2H-1-benzopyran-3-carboxylic acid [2-(5-methoxycarbonyl-2-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(5-methoxycarbonyl-2-methylanilino)-2-oxoethyl] (3S)-6-chloro-3,4-dihydro-2H-chromene-3-carboxylate Traditional Name: (3S)-6-chlorochroman-3-carboxylic acid [2-(5-carbomethoxy-2-methyl-anilino)-2-keto-ethyl] ester Formula: C21H20ClNO6 MolecularWeight: 417.8396

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)COC(=O)C2CC3=C(C=CC(=C3)Cl)OC2

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)COC(=O)[C@H]2CC3=C(C=CC(=C3)Cl)OC2

InChI

InChI=1S/C21H20ClNO6/c1-12-3-4-13(20(25)27-2)9-17(12)23-19(24)11-29-21(26)15-7-14-8-16(22)5-6-18(14)28-10-15/h3-6,8-9,15H,7,10-11H2,1-2H3,(H,23,24)/t15-/m0/s1