[2-[[(2S)-butan-2-yl]amino]-2-oxidanylidene-ethyl] 5-chloranyl-3-methyl-1-benzofuran-2-carboxylate

Systemtic Name: [2-[[(2S)-butan-2-yl]amino]-2-oxidanylidene-ethyl] 5-chloranyl-3-methyl-1-benzofuran-2-carboxylate Openeye Name: [2-[[(1S)-1-methylpropyl]amino]-2-oxo-ethyl] 5-chloro-3-methyl-benzofuran-2-carboxylate CAS Name: 5-chloro-3-methyl-2-benzofurancarboxylic acid [2-[[(2S)-butan-2-yl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(2S)-butan-2-yl]amino]-2-oxoethyl] 5-chloro-3-methyl-1-benzofuran-2-carboxylate Traditional Name: 5-chloro-3-methyl-coumarilic acid [2-keto-2-[[(1S)-1-methylpropyl]amino]ethyl] ester Formula: C16H18ClNO4 MolecularWeight: 323.77142

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)COC(=O)C1=C(C2=C(O1)C=CC(=C2)Cl)C

Isomeric SMILES

CC[C@H](C)NC(=O)COC(=O)C1=C(C2=C(O1)C=CC(=C2)Cl)C

InChI

InChI=1S/C16H18ClNO4/c1-4-9(2)18-14(19)8-21-16(20)15-10(3)12-7-11(17)5-6-13(12)22-15/h5-7,9H,4,8H2,1-3H3,(H,18,19)/t9-/m0/s1