[2-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]-2-oxidanylidene-ethyl] 9H-xanthene-9-carboxylate

Systemtic Name: [2-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]-2-oxidanylidene-ethyl] 9H-xanthene-9-carboxylate Openeye Name: [2-(2,5-dimethyl-1-thiazol-2-yl-pyrrol-3-yl)-2-oxo-ethyl] 9H-xanthene-9-carboxylate CAS Name: 9H-xanthene-9-carboxylic 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] 9H-xanthene-9-carboxylate Traditional Name: 9H-xanthene-9-carboxylic acid [2-(2,5-dimethyl-1-thiazol-2-yl-pyrrol-3-yl)-2-keto-ethyl] ester Formula: C25H20N2O4S MolecularWeight: 444.5023

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=NC=CS2)C)C(=O)COC(=O)C3C4=CC=CC=C4OC5=CC=CC=C35

Isomeric SMILES

CC1=CC(=C(N1C2=NC=CS2)C)C(=O)COC(=O)C3C4=CC=CC=C4OC5=CC=CC=C35

InChI

InChI=1S/C25H20N2O4S/c1-15-13-19(16(2)27(15)25-26-11-12-32-25)20(28)14-30-24(29)23-17-7-3-5-9-21(17)31-22-10-6-4-8-18(22)23/h3-13,23H,14H2,1-2H3