[1-(2-methoxy-5-methyl-phenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]methyl thiocyanate

Systemtic Name: [1-(2-methoxy-5-methyl-phenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]methyl thiocyanate Openeye Name: [1-(2-methoxy-5-methyl-phenyl)-2,5-dioxo-pyrrolidin-3-yl]methyl thiocyanate CAS Name: thiocyanic acid [1-(2-methoxy-5-methylphenyl)-2,5-dioxo-3-pyrrolidinyl]methyl ester IUPAC Name: [1-(2-methoxy-5-methylphenyl)-2,5-dioxopyrrolidin-3-yl]methyl thiocyanate Traditional Name: thiocyanic acid [2,5-diketo-1-(2-methoxy-5-methyl-phenyl)pyrrolidin-3-yl]methyl ester Formula: C14H14N2O3S MolecularWeight: 290.33756

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)N2C(=O)CC(C2=O)CSC#N

Isomeric SMILES

CC1=CC(=C(C=C1)OC)N2C(=O)CC(C2=O)CSC#N

InChI

InChI=1S/C14H14N2O3S/c1-9-3-4-12(19-2)11(5-9)16-13(17)6-10(14(16)18)7-20-8-15/h3-5,10H,6-7H2,1-2H3