[4-[(2-azanyl-4-oxidanylidene-1,3-thiazol-5-ylidene)methyl]-2-bromanyl-phenyl] 4-methoxybenzenesulfonate

Systemtic Name: [4-[(2-azanyl-4-oxidanylidene-1,3-thiazol-5-ylidene)methyl]-2-bromanyl-phenyl] 4-methoxybenzenesulfonate Openeye Name: [4-[(2-amino-4-oxo-thiazol-5-ylidene)methyl]-2-bromo-phenyl] 4-methoxybenzenesulfonate CAS Name: 4-methoxybenzenesulfonic acid [4-[(2-amino-4-oxo-5-thiazolylidene)methyl]-2-bromophenyl] ester IUPAC Name: [4-[(2-amino-4-oxo-1,3-thiazol-5-ylidene)methyl]-2-bromophenyl] 4-methoxybenzenesulfonate Traditional Name: 4-methoxybenzenesulfonic acid [4-[(2-amino-4-keto-2-thiazolin-5-ylidene)methyl]-2-bromo-phenyl] ester Formula: C17H13BrN2O5S2 MolecularWeight: 469.32952

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2)C=C3C(=O)N=C(S3)N)Br

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2)C=C3C(=O)N=C(S3)N)Br

InChI

InChI=1S/C17H13BrN2O5S2/c1-24-11-3-5-12(6-4-11)27(22,23)25-14-7-2-10(8-13(14)18)9-15-16(21)20-17(19)26-15/h2-9H,1H3,(H2,19,20,21)