[2-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-2-oxidanylidene-ethyl] 1-oxidanidylpyridin-1-ium-4-carboxylate

Systemtic Name: [2-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-2-oxidanylidene-ethyl] 1-oxidanidylpyridin-1-ium-4-carboxylate Openeye Name: [2-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-2-oxo-ethyl] 1-oxidopyridin-1-ium-4-carboxylate CAS Name: 1-oxido-4-pyridin-1-iumcarboxylic acid [2-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] 1-oxidopyridin-1-ium-4-carboxylate Traditional Name: 1-oxidopyridin-1-ium-4-carboxylic acid [2-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-2-keto-ethyl] ester Formula: C17H15N3O5S MolecularWeight: 373.3831

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)COC(=O)C3=CC=[N+](C=C3)[O-]

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)COC(=O)C3=CC=[N+](C=C3)[O-]

InChI

InChI=1S/C17H15N3O5S/c1-2-24-12-3-4-13-14(9-12)26-17(18-13)19-15(21)10-25-16(22)11-5-7-20(23)8-6-11/h3-9H,2,10H2,1H3,(H,18,19,21)