[(3S)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] 5-chloranyl-3-methyl-1-benzofuran-2-carboxylate

Systemtic Name: [(3S)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] 5-chloranyl-3-methyl-1-benzofuran-2-carboxylate Openeye Name: [(3S)-3-cyano-4-imino-2-oxo-pentyl] 5-chloro-3-methyl-benzofuran-2-carboxylate CAS Name: 5-chloro-3-methyl-2-benzofurancarboxylic acid [(3S)-3-cyano-4-imino-2-oxopentyl] ester IUPAC Name: [(3S)-3-cyano-4-imino-2-oxopentyl] 5-chloro-3-methyl-1-benzofuran-2-carboxylate Traditional Name: 5-chloro-3-methyl-coumarilic acid [(3S)-3-cyano-4-imino-2-keto-pentyl] ester Formula: C16H13ClN2O4 MolecularWeight: 332.73842

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C=C(C=C2)Cl)C(=O)OCC(=O)C(C#N)C(=N)C

Isomeric SMILES

CC1=C(OC2=C1C=C(C=C2)Cl)C(=O)OCC(=O)[C@H](C#N)C(=N)C

InChI

InChI=1S/C16H13ClN2O4/c1-8-11-5-10(17)3-4-14(11)23-15(8)16(21)22-7-13(20)12(6-18)9(2)19/h3-5,12,19H,7H2,1-2H3/t12-/m1/s1