N-(3-chloranyl-4-methoxy-phenyl)-2-methyl-4-oxidanylidene-1H-pyrimido[2,1-b][1,3]benzothiazol-5-ium-3-sulfonamide

Systemtic Name: N-(3-chloranyl-4-methoxy-phenyl)-2-methyl-4-oxidanylidene-1H-pyrimido[2,1-b][1,3]benzothiazol-5-ium-3-sulfonamide Openeye Name: N-(3-chloro-4-methoxy-phenyl)-2-methyl-4-oxo-1H-pyrimido[2,1-b][1,3]benzothiazol-5-ium-3-sulfonamide CAS Name: N-(3-chloro-4-methoxyphenyl)-2-methyl-4-oxo-1H-pyrimido[2,1-b][1,3]benzothiazol-5-ium-3-sulfonamide IUPAC Name: N-(3-chloro-4-methoxyphenyl)-2-methyl-4-oxo-1H-pyrimido[2,1-b][1,3]benzothiazol-5-ium-3-sulfonamide Traditional Name: N-(3-chloro-4-methoxy-phenyl)-4-keto-2-methyl-1H-pyrimido[2,1-b][1,3]benzothiazol-5-ium-3-sulfonamide Formula: C18H15ClN3O4S2+ MolecularWeight: 436.9124

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)[N+]2=C(N1)SC3=CC=CC=C32)S(=O)(=O)NC4=CC(=C(C=C4)OC)Cl

Isomeric SMILES

CC1=C(C(=O)[N+]2=C(N1)SC3=CC=CC=C32)S(=O)(=O)NC4=CC(=C(C=C4)OC)Cl

InChI

InChI=1S/C18H14ClN3O4S2/c1-10-16(28(24,25)21-11-7-8-14(26-2)12(19)9-11)17(23)22-13-5-3-4-6-15(13)27-18(22)20-10/h3-9,21H,1-2H3/p+1