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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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