[4-[(2-azanyl-4-oxidanylidene-1,3-thiazol-5-ylidene)methyl]-2-bromanyl-6-methoxy-phenyl] 4-nitrobenzenesulfonate

Systemtic Name: [4-[(2-azanyl-4-oxidanylidene-1,3-thiazol-5-ylidene)methyl]-2-bromanyl-6-methoxy-phenyl] 4-nitrobenzenesulfonate Openeye Name: [4-[(2-amino-4-oxo-thiazol-5-ylidene)methyl]-2-bromo-6-methoxy-phenyl] 4-nitrobenzenesulfonate CAS Name: 4-nitrobenzenesulfonic acid [4-[(2-amino-4-oxo-5-thiazolylidene)methyl]-2-bromo-6-methoxyphenyl] ester IUPAC Name: [4-[(2-amino-4-oxo-1,3-thiazol-5-ylidene)methyl]-2-bromo-6-methoxyphenyl] 4-nitrobenzenesulfonate Traditional Name: 4-nitrobenzenesulfonic acid [4-[(2-amino-4-keto-2-thiazolin-5-ylidene)methyl]-2-bromo-6-methoxy-phenyl] ester Formula: C17H12BrN3O7S2 MolecularWeight: 514.32708

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C=C2C(=O)N=C(S2)N)Br)OS(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C(=CC(=C1)C=C2C(=O)N=C(S2)N)Br)OS(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H12BrN3O7S2/c1-27-13-7-9(8-14-16(22)20-17(19)29-14)6-12(18)15(13)28-30(25,26)11-4-2-10(3-5-11)21(23)24/h2-8H,1H3,(H2,19,20,22)