[2-oxidanylidene-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] 5-(1,3-benzothiazol-2-yl)furan-2-carboxylate

Systemtic Name: [2-oxidanylidene-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] 5-(1,3-benzothiazol-2-yl)furan-2-carboxylate Openeye Name: [2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] 5-(1,3-benzothiazol-2-yl)furan-2-carboxylate CAS Name: 5-(1,3-benzothiazol-2-yl)-2-furancarboxylic acid [2-oxo-2-(1,2,5-trimethyl-3-pyrrolyl)ethyl] ester IUPAC Name: [2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] 5-(1,3-benzothiazol-2-yl)furan-2-carboxylate Traditional Name: 5-(1,3-benzothiazol-2-yl)furan-2-carboxylic acid [2-keto-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] ester Formula: C21H18N2O4S MolecularWeight: 394.44362

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C)C)C(=O)COC(=O)C2=CC=C(O2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1=CC(=C(N1C)C)C(=O)COC(=O)C2=CC=C(O2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H18N2O4S/c1-12-10-14(13(2)23(12)3)16(24)11-26-21(25)18-9-8-17(27-18)20-22-15-6-4-5-7-19(15)28-20/h4-10H,11H2,1-3H3