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

Systemtic Name: [2-[(3-ethylphenyl)amino]-2-oxidanylidene-ethyl] (3S)-6-chloranyl-3,4-dihydro-2H-chromene-3-carboxylate Openeye Name: [2-(3-ethylanilino)-2-oxo-ethyl] (3S)-6-chlorochromane-3-carboxylate CAS Name: (3S)-6-chloro-3,4-dihydro-2H-1-benzopyran-3-carboxylic acid [2-(3-ethylanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-ethylanilino)-2-oxoethyl] (3S)-6-chloro-3,4-dihydro-2H-chromene-3-carboxylate Traditional Name: (3S)-6-chlorochroman-3-carboxylic acid [2-(3-ethylanilino)-2-keto-ethyl] ester Formula: C20H20ClNO4 MolecularWeight: 373.8301

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC=C1)NC(=O)COC(=O)C2CC3=C(C=CC(=C3)Cl)OC2

Isomeric SMILES

CCC1=CC(=CC=C1)NC(=O)COC(=O)[C@H]2CC3=C(C=CC(=C3)Cl)OC2

InChI

InChI=1S/C20H20ClNO4/c1-2-13-4-3-5-17(8-13)22-19(23)12-26-20(24)15-9-14-10-16(21)6-7-18(14)25-11-15/h3-8,10,15H,2,9,11-12H2,1H3,(H,22,23)/t15-/m0/s1