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

Systemtic Name: [1-methyl-3-(5-methyl-1,3-benzothiazol-2-yl)-3-oxidanidyl-imidazolidin-3-ium-4-yl] prop-2-enoate Openeye Name: [1-methyl-3-(5-methyl-1,3-benzothiazol-2-yl)-3-oxido-imidazolidin-3-ium-4-yl] prop-2-enoate CAS Name: 2-propenoic 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] prop-2-enoate Traditional Name: acrylic acid [1-methyl-3-(5-methyl-1,3-benzothiazol-2-yl)-3-oxido-imidazolidin-3-ium-4-yl] ester Formula: C15H17N3O3S MolecularWeight: 319.37878

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H17N3O3S/c1-4-14(19)21-13-8-17(3)9-18(13,20)15-16-11-7-10(2)5-6-12(11)22-15/h4-7,13H,1,8-9H2,2-3H3