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

Systemtic Name: [4-[(2-azanyl-4-oxidanylidene-1,3-thiazol-5-ylidene)methyl]-2-methoxy-phenyl] 2-nitrobenzenesulfonate Openeye Name: [4-[(2-amino-4-oxo-thiazol-5-ylidene)methyl]-2-methoxy-phenyl] 2-nitrobenzenesulfonate CAS Name: 2-nitrobenzenesulfonic acid [4-[(2-amino-4-oxo-5-thiazolylidene)methyl]-2-methoxyphenyl] ester IUPAC Name: [4-[(2-amino-4-oxo-1,3-thiazol-5-ylidene)methyl]-2-methoxyphenyl] 2-nitrobenzenesulfonate Traditional Name: 2-nitrobenzenesulfonic acid [4-[(2-amino-4-keto-2-thiazolin-5-ylidene)methyl]-2-methoxy-phenyl] ester Formula: C17H13N3O7S2 MolecularWeight: 435.43102

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H13N3O7S2/c1-26-13-8-10(9-14-16(21)19-17(18)28-14)6-7-12(13)27-29(24,25)15-5-3-2-4-11(15)20(22)23/h2-9H,1H3,(H2,18,19,21)