2-[(1-methylimidazol-2-yl)sulfinylmethyl]quinoline-3-carboxylate

Systemtic Name: 2-[(1-methylimidazol-2-yl)sulfinylmethyl]quinoline-3-carboxylate Openeye Name: 2-[(1-methylimidazol-2-yl)sulfinylmethyl]quinoline-3-carboxylate CAS Name: 2-[(1-methyl-2-imidazolyl)sulfinylmethyl]-3-quinolinecarboxylate IUPAC Name: 2-[(1-methylimidazol-2-yl)sulfinylmethyl]quinoline-3-carboxylate Traditional Name: 2-[(1-methylimidazol-2-yl)sulfinylmethyl]quinoline-3-carboxylate Formula: C15H12N3O3S- MolecularWeight: 314.33908

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1S(=O)CC2=NC3=CC=CC=C3C=C2C(=O)[O-]

Isomeric SMILES

CN1C=CN=C1S(=O)CC2=NC3=CC=CC=C3C=C2C(=O)[O-]

InChI

InChI=1S/C15H13N3O3S/c1-18-7-6-16-15(18)22(21)9-13-11(14(19)20)8-10-4-2-3-5-12(10)17-13/h2-8H,9H2,1H3,(H,19,20)/p-1