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

Systemtic Name: [2-[(2-chloranyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl] (3S)-6-chloranyl-3,4-dihydro-2H-chromene-3-carboxylate Openeye Name: [2-(2-chloro-4-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-(2-chloro-4-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-chloro-4-methylanilino)-2-oxoethyl] (3S)-6-chloro-3,4-dihydro-2H-chromene-3-carboxylate Traditional Name: (3S)-6-chlorochroman-3-carboxylic acid [2-(2-chloro-4-methyl-anilino)-2-keto-ethyl] ester Formula: C19H17Cl2NO4 MolecularWeight: 394.24858

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H17Cl2NO4/c1-11-2-4-16(15(21)6-11)22-18(23)10-26-19(24)13-7-12-8-14(20)3-5-17(12)25-9-13/h2-6,8,13H,7,9-10H2,1H3,(H,22,23)/t13-/m0/s1