[(2S)-1-(2-methylpropylamino)-1-oxidanylidene-propan-2-yl] 6-chloranyl-4-oxidanylidene-chromene-2-carboxylate

Systemtic Name: [(2S)-1-(2-methylpropylamino)-1-oxidanylidene-propan-2-yl] 6-chloranyl-4-oxidanylidene-chromene-2-carboxylate Openeye Name: [(1S)-2-(isobutylamino)-1-methyl-2-oxo-ethyl] 6-chloro-4-oxo-chromene-2-carboxylate CAS Name: 6-chloro-4-oxo-1-benzopyran-2-carboxylic acid [(2S)-1-(2-methylpropylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(2-methylpropylamino)-1-oxopropan-2-yl] 6-chloro-4-oxochromene-2-carboxylate Traditional Name: 6-chloro-4-keto-chromene-2-carboxylic acid [(1S)-2-(isobutylamino)-2-keto-1-methyl-ethyl] ester Formula: C17H18ClNO5 MolecularWeight: 351.78152

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)C(C)OC(=O)C1=CC(=O)C2=C(O1)C=CC(=C2)Cl

Isomeric SMILES

C[C@@H](C(=O)NCC(C)C)OC(=O)C1=CC(=O)C2=C(O1)C=CC(=C2)Cl

InChI

InChI=1S/C17H18ClNO5/c1-9(2)8-19-16(21)10(3)23-17(22)15-7-13(20)12-6-11(18)4-5-14(12)24-15/h4-7,9-10H,8H2,1-3H3,(H,19,21)/t10-/m0/s1