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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OS(=O)(=O)C2=CC=C(C=C2)Cl)C=C3C(=O)N=C(S3)N

Isomeric SMILES

COC1=CC=CC(=C1OS(=O)(=O)C2=CC=C(C=C2)Cl)C=C3C(=O)N=C(S3)N

InChI

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