[1-ethyl-3-(4-methoxy-1,3-benzothiazol-2-yl)-3-oxidanidyl-imidazolidin-3-ium-4-yl] 4-thiophen-2-ylbutanoate

Systemtic Name: [1-ethyl-3-(4-methoxy-1,3-benzothiazol-2-yl)-3-oxidanidyl-imidazolidin-3-ium-4-yl] 4-thiophen-2-ylbutanoate Openeye Name: [1-ethyl-3-(4-methoxy-1,3-benzothiazol-2-yl)-3-oxido-imidazolidin-3-ium-4-yl] 4-(2-thienyl)butanoate CAS Name: 4-thiophen-2-ylbutanoic acid [1-ethyl-3-(4-methoxy-1,3-benzothiazol-2-yl)-3-oxido-4-imidazolidin-3-iumyl] ester IUPAC Name: [1-ethyl-3-(4-methoxy-1,3-benzothiazol-2-yl)-3-oxidoimidazolidin-3-ium-4-yl] 4-thiophen-2-ylbutanoate Traditional Name: 4-(2-thienyl)butyric acid [1-ethyl-3-(4-methoxy-1,3-benzothiazol-2-yl)-3-oxido-imidazolidin-3-ium-4-yl] ester Formula: C21H25N3O4S2 MolecularWeight: 447.5709

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CC([N+](C1)(C2=NC3=C(C=CC=C3S2)OC)[O-])OC(=O)CCCC4=CC=CS4

Isomeric SMILES

CCN1CC([N+](C1)(C2=NC3=C(C=CC=C3S2)OC)[O-])OC(=O)CCCC4=CC=CS4

InChI

InChI=1S/C21H25N3O4S2/c1-3-23-13-18(28-19(25)11-4-7-15-8-6-12-29-15)24(26,14-23)21-22-20-16(27-2)9-5-10-17(20)30-21/h5-6,8-10,12,18H,3-4,7,11,13-14H2,1-2H3