[1-methyl-3-(5-methyl-1,3-benzothiazol-2-yl)-3-oxidanidyl-imidazolidin-3-ium-4-yl] thiophene-2-carboxylate

Systemtic Name: [1-methyl-3-(5-methyl-1,3-benzothiazol-2-yl)-3-oxidanidyl-imidazolidin-3-ium-4-yl] thiophene-2-carboxylate Openeye Name: [1-methyl-3-(5-methyl-1,3-benzothiazol-2-yl)-3-oxido-imidazolidin-3-ium-4-yl] thiophene-2-carboxylate CAS Name: 2-thiophenecarboxylic acid [1-methyl-3-(5-methyl-1,3-benzothiazol-2-yl)-3-oxido-4-imidazolidin-3-iumyl] ester IUPAC Name: [1-methyl-3-(5-methyl-1,3-benzothiazol-2-yl)-3-oxidoimidazolidin-3-ium-4-yl] thiophene-2-carboxylate Traditional Name: thiophene-2-carboxylic acid [1-methyl-3-(5-methyl-1,3-benzothiazol-2-yl)-3-oxido-imidazolidin-3-ium-4-yl] ester Formula: C17H17N3O3S2 MolecularWeight: 375.46518

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)SC(=N2)[N+]3(CN(CC3OC(=O)C4=CC=CS4)C)[O-]

Isomeric SMILES

CC1=CC2=C(C=C1)SC(=N2)[N+]3(CN(CC3OC(=O)C4=CC=CS4)C)[O-]

InChI

InChI=1S/C17H17N3O3S2/c1-11-5-6-13-12(8-11)18-17(25-13)20(22)10-19(2)9-15(20)23-16(21)14-4-3-7-24-14/h3-8,15H,9-10H2,1-2H3