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

Systemtic Name: [4-[(2-azanyl-4-oxidanylidene-1,3-thiazol-5-ylidene)methyl]-2-chloranyl-6-methoxy-phenyl] benzenesulfonate Openeye Name: [4-[(2-amino-4-oxo-thiazol-5-ylidene)methyl]-2-chloro-6-methoxy-phenyl] benzenesulfonate CAS Name: benzenesulfonic acid [4-[(2-amino-4-oxo-5-thiazolylidene)methyl]-2-chloro-6-methoxyphenyl] ester IUPAC Name: [4-[(2-amino-4-oxo-1,3-thiazol-5-ylidene)methyl]-2-chloro-6-methoxyphenyl] benzenesulfonate Traditional Name: benzenesulfonic acid [4-[(2-amino-4-keto-2-thiazolin-5-ylidene)methyl]-2-chloro-6-methoxy-phenyl] ester Formula: C17H13ClN2O5S2 MolecularWeight: 424.87852

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C=C2C(=O)N=C(S2)N)Cl)OS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

COC1=C(C(=CC(=C1)C=C2C(=O)N=C(S2)N)Cl)OS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C17H13ClN2O5S2/c1-24-13-8-10(9-14-16(21)20-17(19)26-14)7-12(18)15(13)25-27(22,23)11-5-3-2-4-6-11/h2-9H,1H3,(H2,19,20,21)