[2-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]-2-oxidanylidene-ethyl] 3-phenylfuran-2-carboxylate

Systemtic Name: [2-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]-2-oxidanylidene-ethyl] 3-phenylfuran-2-carboxylate Openeye Name: [2-(2,5-dimethyl-1-thiazol-2-yl-pyrrol-3-yl)-2-oxo-ethyl] 3-phenylfuran-2-carboxylate CAS Name: 3-phenyl-2-furancarboxylic acid [2-[2,5-dimethyl-1-(2-thiazolyl)-3-pyrrolyl]-2-oxoethyl] ester IUPAC Name: [2-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]-2-oxoethyl] 3-phenylfuran-2-carboxylate Traditional Name: 3-phenylfuran-2-carboxylic acid [2-(2,5-dimethyl-1-thiazol-2-yl-pyrrol-3-yl)-2-keto-ethyl] ester Formula: C22H18N2O4S MolecularWeight: 406.45432

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=NC=CS2)C)C(=O)COC(=O)C3=C(C=CO3)C4=CC=CC=C4

Isomeric SMILES

CC1=CC(=C(N1C2=NC=CS2)C)C(=O)COC(=O)C3=C(C=CO3)C4=CC=CC=C4

InChI

InChI=1S/C22H18N2O4S/c1-14-12-18(15(2)24(14)22-23-9-11-29-22)19(25)13-28-21(26)20-17(8-10-27-20)16-6-4-3-5-7-16/h3-12H,13H2,1-2H3