[(3S)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] 2-(5,6-dimethyl-1-benzofuran-3-yl)ethanoate

Systemtic Name: [(3S)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] 2-(5,6-dimethyl-1-benzofuran-3-yl)ethanoate Openeye Name: [(3S)-3-cyano-4-imino-2-oxo-pentyl] 2-(5,6-dimethylbenzofuran-3-yl)acetate CAS Name: 2-(5,6-dimethyl-3-benzofuranyl)acetic acid [(3S)-3-cyano-4-imino-2-oxopentyl] ester IUPAC Name: [(3S)-3-cyano-4-imino-2-oxopentyl] 2-(5,6-dimethyl-1-benzofuran-3-yl)acetate Traditional Name: 2-(5,6-dimethylbenzofuran-3-yl)acetic acid [(3S)-3-cyano-4-imino-2-keto-pentyl] ester Formula: C18H18N2O4 MolecularWeight: 326.34652

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=CO2)CC(=O)OCC(=O)C(C#N)C(=N)C)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=CO2)CC(=O)OCC(=O)[C@H](C#N)C(=N)C)C

InChI

InChI=1S/C18H18N2O4/c1-10-4-14-13(8-23-17(14)5-11(10)2)6-18(22)24-9-16(21)15(7-19)12(3)20/h4-5,8,15,20H,6,9H2,1-3H3/t15-/m1/s1