methyl 3-[5-(2-cyano-4,4-dimethyl-3-oxidanylidene-pent-1-enyl)furan-2-yl]thiophene-2-carboxylate

Systemtic Name: methyl 3-[5-(2-cyano-4,4-dimethyl-3-oxidanylidene-pent-1-enyl)furan-2-yl]thiophene-2-carboxylate Openeye Name: methyl 3-[5-(2-cyano-4,4-dimethyl-3-oxo-pent-1-enyl)-2-furyl]thiophene-2-carboxylate CAS Name: 3-[5-(2-cyano-4,4-dimethyl-3-oxopent-1-enyl)-2-furanyl]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[5-(2-cyano-4,4-dimethyl-3-oxopent-1-enyl)furan-2-yl]thiophene-2-carboxylate Traditional Name: 3-[5-(2-cyano-3-keto-4,4-dimethyl-pent-1-enyl)-2-furyl]thiophene-2-carboxylic acid methyl ester Formula: C18H17NO4S MolecularWeight: 343.39688

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)C(=CC1=CC=C(O1)C2=C(SC=C2)C(=O)OC)C#N

Isomeric SMILES

CC(C)(C)C(=O)C(=CC1=CC=C(O1)C2=C(SC=C2)C(=O)OC)C#N

InChI

InChI=1S/C18H17NO4S/c1-18(2,3)16(20)11(10-19)9-12-5-6-14(23-12)13-7-8-24-15(13)17(21)22-4/h5-9H,1-4H3