[(2S)-1-(1,3-benzodioxol-5-ylamino)-1-oxidanylidene-propan-2-yl] 5-chloranyl-1-benzofuran-2-carboxylate

Systemtic Name: [(2S)-1-(1,3-benzodioxol-5-ylamino)-1-oxidanylidene-propan-2-yl] 5-chloranyl-1-benzofuran-2-carboxylate Openeye Name: [(1S)-2-(1,3-benzodioxol-5-ylamino)-1-methyl-2-oxo-ethyl] 5-chlorobenzofuran-2-carboxylate CAS Name: 5-chloro-2-benzofurancarboxylic acid [(2S)-1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl] 5-chloro-1-benzofuran-2-carboxylate Traditional Name: 5-chlorocoumarilic acid [(1S)-2-(1,3-benzodioxol-5-ylamino)-2-keto-1-methyl-ethyl] ester Formula: C19H14ClNO6 MolecularWeight: 387.77056

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC2=C(C=C1)OCO2)OC(=O)C3=CC4=C(O3)C=CC(=C4)Cl

Isomeric SMILES

C[C@@H](C(=O)NC1=CC2=C(C=C1)OCO2)OC(=O)C3=CC4=C(O3)C=CC(=C4)Cl

InChI

InChI=1S/C19H14ClNO6/c1-10(18(22)21-13-3-5-15-16(8-13)25-9-24-15)26-19(23)17-7-11-6-12(20)2-4-14(11)27-17/h2-8,10H,9H2,1H3,(H,21,22)/t10-/m0/s1