[2-[[3,5-bis(fluoranyl)phenyl]amino]-2-oxidanylidene-ethyl] (E)-3-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]prop-2-enoate

Systemtic Name: [2-[[3,5-bis(fluoranyl)phenyl]amino]-2-oxidanylidene-ethyl] (E)-3-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]prop-2-enoate Openeye Name: [2-(3,5-difluoroanilino)-2-oxo-ethyl] (E)-3-(2,5-dimethyl-1-thiazol-2-yl-pyrrol-3-yl)prop-2-enoate CAS Name: (E)-3-[2,5-dimethyl-1-(2-thiazolyl)-3-pyrrolyl]-2-propenoic acid [2-(3,5-difluoroanilino)-2-oxoethyl] ester IUPAC Name: [2-(3,5-difluoroanilino)-2-oxoethyl] (E)-3-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]prop-2-enoate Traditional Name: (E)-3-(2,5-dimethyl-1-thiazol-2-yl-pyrrol-3-yl)acrylic acid [2-(3,5-difluoroanilino)-2-keto-ethyl] ester Formula: C20H17F2N3O3S MolecularWeight: 417.429086

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=NC=CS2)C)C=CC(=O)OCC(=O)NC3=CC(=CC(=C3)F)F

Isomeric SMILES

CC1=CC(=C(N1C2=NC=CS2)C)/C=C/C(=O)OCC(=O)NC3=CC(=CC(=C3)F)F

InChI

InChI=1S/C20H17F2N3O3S/c1-12-7-14(13(2)25(12)20-23-5-6-29-20)3-4-19(27)28-11-18(26)24-17-9-15(21)8-16(22)10-17/h3-10H,11H2,1-2H3,(H,24,26)/b4-3+