[2-[[(1S)-1-cyano-1-cyclopropyl-ethyl]amino]-2-oxidanylidene-ethyl] 3-methyl-1-benzofuran-2-carboxylate

Systemtic Name: [2-[[(1S)-1-cyano-1-cyclopropyl-ethyl]amino]-2-oxidanylidene-ethyl] 3-methyl-1-benzofuran-2-carboxylate Openeye Name: [2-[[(1S)-1-cyano-1-cyclopropyl-ethyl]amino]-2-oxo-ethyl] 3-methylbenzofuran-2-carboxylate CAS Name: 3-methyl-2-benzofurancarboxylic acid [2-[[(1S)-1-cyano-1-cyclopropylethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(1S)-1-cyano-1-cyclopropylethyl]amino]-2-oxoethyl] 3-methyl-1-benzofuran-2-carboxylate Traditional Name: 3-methylcoumarilic acid [2-[[(1S)-1-cyano-1-cyclopropyl-ethyl]amino]-2-keto-ethyl] ester Formula: C18H18N2O4 MolecularWeight: 326.34652

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=CC=CC=C12)C(=O)OCC(=O)NC(C)(C#N)C3CC3

Isomeric SMILES

CC1=C(OC2=CC=CC=C12)C(=O)OCC(=O)N[C@](C)(C#N)C3CC3

InChI

InChI=1S/C18H18N2O4/c1-11-13-5-3-4-6-14(13)24-16(11)17(22)23-9-15(21)20-18(2,10-19)12-7-8-12/h3-6,12H,7-9H2,1-2H3,(H,20,21)/t18-/m1/s1