[2-[2,5-dimethyl-1-(4-methyl-1,3-thiazol-2-yl)pyrrol-3-yl]-2-oxidanylidene-ethyl] 2-chloranylpyridine-4-carboxylate

Systemtic Name: [2-[2,5-dimethyl-1-(4-methyl-1,3-thiazol-2-yl)pyrrol-3-yl]-2-oxidanylidene-ethyl] 2-chloranylpyridine-4-carboxylate Openeye Name: [2-[2,5-dimethyl-1-(4-methylthiazol-2-yl)pyrrol-3-yl]-2-oxo-ethyl] 2-chloropyridine-4-carboxylate CAS Name: 2-chloro-4-pyridinecarboxylic acid [2-[2,5-dimethyl-1-(4-methyl-2-thiazolyl)-3-pyrrolyl]-2-oxoethyl] ester IUPAC Name: [2-[2,5-dimethyl-1-(4-methyl-1,3-thiazol-2-yl)pyrrol-3-yl]-2-oxoethyl] 2-chloropyridine-4-carboxylate Traditional Name: 2-chloroisonicotinic acid [2-[2,5-dimethyl-1-(4-methylthiazol-2-yl)pyrrol-3-yl]-2-keto-ethyl] ester Formula: C18H16ClN3O3S MolecularWeight: 389.85594

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16ClN3O3S/c1-10-9-26-18(21-10)22-11(2)6-14(12(22)3)15(23)8-25-17(24)13-4-5-20-16(19)7-13/h4-7,9H,8H2,1-3H3