[2-[[1,1-bis(oxidanylidene)thiolan-3-yl]-ethyl-amino]-2-oxidanylidene-ethyl] (E)-3-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-pyrazol-4-yl]prop-2-enoate

Systemtic Name: [2-[[1,1-bis(oxidanylidene)thiolan-3-yl]-ethyl-amino]-2-oxidanylidene-ethyl] (E)-3-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-pyrazol-4-yl]prop-2-enoate Openeye Name: [2-[(1,1-dioxothiolan-3-yl)-ethyl-amino]-2-oxo-ethyl] (E)-3-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-pyrazol-4-yl]prop-2-enoate CAS Name: (E)-3-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-4-pyrazolyl]-2-propenoic acid [2-[(1,1-dioxo-3-thiolanyl)-ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[(1,1-dioxothiolan-3-yl)-ethylamino]-2-oxoethyl] (E)-3-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenylpyrazol-4-yl]prop-2-enoate Traditional Name: (E)-3-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-pyrazol-4-yl]acrylic acid [2-[(1,1-diketothiolan-3-yl)-ethyl-amino]-2-keto-ethyl] ester Formula: C28H29N3O7S MolecularWeight: 551.61076

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1CCS(=O)(=O)C1)C(=O)COC(=O)C=CC2=CN(N=C2C3=CC4=C(C=C3)OCCO4)C5=CC=CC=C5

Isomeric SMILES

CCN(C1CCS(=O)(=O)C1)C(=O)COC(=O)/C=C/C2=CN(N=C2C3=CC4=C(C=C3)OCCO4)C5=CC=CC=C5

InChI

InChI=1S/C28H29N3O7S/c1-2-30(23-12-15-39(34,35)19-23)26(32)18-38-27(33)11-9-21-17-31(22-6-4-3-5-7-22)29-28(21)20-8-10-24-25(16-20)37-14-13-36-24/h3-11,16-17,23H,2,12-15,18-19H2,1H3/b11-9+