N-[2-[1,1-bis(oxidanylidene)thiolan-3-yl]-5-tert-butyl-pyrazol-3-yl]-3-(furan-2-yl)prop-2-enamide

Systemtic Name: N-[2-[1,1-bis(oxidanylidene)thiolan-3-yl]-5-tert-butyl-pyrazol-3-yl]-3-(furan-2-yl)prop-2-enamide Openeye Name: N-[5-tert-butyl-2-(1,1-dioxothiolan-3-yl)pyrazol-3-yl]-3-(2-furyl)prop-2-enamide CAS Name: N-[5-tert-butyl-2-(1,1-dioxo-3-thiolanyl)-3-pyrazolyl]-3-(2-furanyl)-2-propenamide IUPAC Name: N-[5-tert-butyl-2-(1,1-dioxothiolan-3-yl)pyrazol-3-yl]-3-(furan-2-yl)prop-2-enamide Traditional Name: N-[5-tert-butyl-2-(1,1-diketothiolan-3-yl)pyrazol-3-yl]-3-(2-furyl)acrylamide Formula: C18H23N3O4S MolecularWeight: 377.45792

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(C(=C1)NC(=O)C=CC2=CC=CO2)C3CCS(=O)(=O)C3

Isomeric SMILES

CC(C)(C)C1=NN(C(=C1)NC(=O)C=CC2=CC=CO2)C3CCS(=O)(=O)C3

InChI

InChI=1S/C18H23N3O4S/c1-18(2,3)15-11-16(19-17(22)7-6-14-5-4-9-25-14)21(20-15)13-8-10-26(23,24)12-13/h4-7,9,11,13H,8,10,12H2,1-3H3,(H,19,22)