[1-but-2-ynyl-3-(4-methoxy-1,3-benzothiazol-2-yl)-3-oxidanidyl-imidazolidin-3-ium-4-yl] pent-4-enoate

Systemtic Name: [1-but-2-ynyl-3-(4-methoxy-1,3-benzothiazol-2-yl)-3-oxidanidyl-imidazolidin-3-ium-4-yl] pent-4-enoate Openeye Name: [1-but-2-ynyl-3-(4-methoxy-1,3-benzothiazol-2-yl)-3-oxido-imidazolidin-3-ium-4-yl] pent-4-enoate CAS Name: 4-pentenoic acid [1-but-2-ynyl-3-(4-methoxy-1,3-benzothiazol-2-yl)-3-oxido-4-imidazolidin-3-iumyl] ester IUPAC Name: [1-but-2-ynyl-3-(4-methoxy-1,3-benzothiazol-2-yl)-3-oxidoimidazolidin-3-ium-4-yl] pent-4-enoate Traditional Name: pent-4-enoic acid [1-but-2-ynyl-3-(4-methoxy-1,3-benzothiazol-2-yl)-3-oxido-imidazolidin-3-ium-4-yl] ester Formula: C20H23N3O4S MolecularWeight: 401.47932

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23N3O4S/c1-4-6-11-18(24)27-17-13-22(12-7-5-2)14-23(17,25)20-21-19-15(26-3)9-8-10-16(19)28-20/h4,8-10,17H,1,6,11-14H2,2-3H3