[(2S)-1-[(2-ethoxyphenyl)amino]-1-oxidanylidene-propan-2-yl] (3S)-6-chloranyl-3,4-dihydro-2H-chromene-3-carboxylate

Systemtic Name: [(2S)-1-[(2-ethoxyphenyl)amino]-1-oxidanylidene-propan-2-yl] (3S)-6-chloranyl-3,4-dihydro-2H-chromene-3-carboxylate Openeye Name: [(1S)-2-(2-ethoxyanilino)-1-methyl-2-oxo-ethyl] (3S)-6-chlorochromane-3-carboxylate CAS Name: (3S)-6-chloro-3,4-dihydro-2H-1-benzopyran-3-carboxylic acid [(2S)-1-(2-ethoxyanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(2-ethoxyanilino)-1-oxopropan-2-yl] (3S)-6-chloro-3,4-dihydro-2H-chromene-3-carboxylate Traditional Name: (3S)-6-chlorochroman-3-carboxylic acid [(1S)-2-keto-1-methyl-2-(o-phenetidino)ethyl] ester Formula: C21H22ClNO5 MolecularWeight: 403.85608

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1NC(=O)C(C)OC(=O)C2CC3=C(C=CC(=C3)Cl)OC2

Isomeric SMILES

CCOC1=CC=CC=C1NC(=O)[C@H](C)OC(=O)[C@H]2CC3=C(C=CC(=C3)Cl)OC2

InChI

InChI=1S/C21H22ClNO5/c1-3-26-19-7-5-4-6-17(19)23-20(24)13(2)28-21(25)15-10-14-11-16(22)8-9-18(14)27-12-15/h4-9,11,13,15H,3,10,12H2,1-2H3,(H,23,24)/t13-,15-/m0/s1