N-[[1-[1,1-bis(oxidanylidene)thiolan-3-yl]-3,5-dimethyl-pyrazol-4-yl]methyl]-4-ethoxy-3-methoxy-N-methyl-benzamide

Systemtic Name: N-[[1-[1,1-bis(oxidanylidene)thiolan-3-yl]-3,5-dimethyl-pyrazol-4-yl]methyl]-4-ethoxy-3-methoxy-N-methyl-benzamide Openeye Name: N-[[1-(1,1-dioxothiolan-3-yl)-3,5-dimethyl-pyrazol-4-yl]methyl]-4-ethoxy-3-methoxy-N-methyl-benzamide CAS Name: N-[[1-(1,1-dioxo-3-thiolanyl)-3,5-dimethyl-4-pyrazolyl]methyl]-4-ethoxy-3-methoxy-N-methylbenzamide IUPAC Name: N-[[1-(1,1-dioxothiolan-3-yl)-3,5-dimethylpyrazol-4-yl]methyl]-4-ethoxy-3-methoxy-N-methylbenzamide Traditional Name: N-[[1-(1,1-diketothiolan-3-yl)-3,5-dimethyl-pyrazol-4-yl]methyl]-4-ethoxy-3-methoxy-N-methyl-benzamide Formula: C21H29N3O5S MolecularWeight: 435.53706

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)N(C)CC2=C(N(N=C2C)C3CCS(=O)(=O)C3)C)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)N(C)CC2=C(N(N=C2C)C3CCS(=O)(=O)C3)C)OC

InChI

InChI=1S/C21H29N3O5S/c1-6-29-19-8-7-16(11-20(19)28-5)21(25)23(4)12-18-14(2)22-24(15(18)3)17-9-10-30(26,27)13-17/h7-8,11,17H,6,9-10,12-13H2,1-5H3