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

Systemtic Name: [2-(furan-2-ylmethylamino)-2-oxidanylidene-ethyl] (3S)-6-chloranyl-3,4-dihydro-2H-chromene-3-carboxylate Openeye Name: [2-(2-furylmethylamino)-2-oxo-ethyl] (3S)-6-chlorochromane-3-carboxylate CAS Name: (3S)-6-chloro-3,4-dihydro-2H-1-benzopyran-3-carboxylic acid [2-(2-furanylmethylamino)-2-oxoethyl] ester IUPAC Name: [2-(furan-2-ylmethylamino)-2-oxoethyl] (3S)-6-chloro-3,4-dihydro-2H-chromene-3-carboxylate Traditional Name: (3S)-6-chlorochroman-3-carboxylic acid [2-(2-furfurylamino)-2-keto-ethyl] ester Formula: C17H16ClNO5 MolecularWeight: 349.76564

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Descriptors Computed from Structure

Canonical SMILES:

C1C(COC2=C1C=C(C=C2)Cl)C(=O)OCC(=O)NCC3=CC=CO3

Isomeric SMILES

C1[C@@H](COC2=C1C=C(C=C2)Cl)C(=O)OCC(=O)NCC3=CC=CO3

InChI

InChI=1S/C17H16ClNO5/c18-13-3-4-15-11(7-13)6-12(9-23-15)17(21)24-10-16(20)19-8-14-2-1-5-22-14/h1-5,7,12H,6,8-10H2,(H,19,20)/t12-/m0/s1