[2-oxidanylidene-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] 1,3-benzothiazole-6-carboxylate

Systemtic Name: [2-oxidanylidene-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] 1,3-benzothiazole-6-carboxylate Openeye Name: [2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] 1,3-benzothiazole-6-carboxylate CAS Name: 1,3-benzothiazole-6-carboxylic acid [2-oxo-2-(1,2,5-trimethyl-3-pyrrolyl)ethyl] ester IUPAC Name: [2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] 1,3-benzothiazole-6-carboxylate Traditional Name: 1,3-benzothiazole-6-carboxylic acid [2-keto-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] ester Formula: C17H16N2O3S MolecularWeight: 328.38554

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C)C)C(=O)COC(=O)C2=CC3=C(C=C2)N=CS3

Isomeric SMILES

CC1=CC(=C(N1C)C)C(=O)COC(=O)C2=CC3=C(C=C2)N=CS3

InChI

InChI=1S/C17H16N2O3S/c1-10-6-13(11(2)19(10)3)15(20)8-22-17(21)12-4-5-14-16(7-12)23-9-18-14/h4-7,9H,8H2,1-3H3