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

Systemtic Name: [4-[(2-azanyl-4-oxidanylidene-1,3-thiazol-5-ylidene)methyl]-2-chloranyl-6-methoxy-phenyl] 4-chloranylbenzenesulfonate Openeye Name: [4-[(2-amino-4-oxo-thiazol-5-ylidene)methyl]-2-chloro-6-methoxy-phenyl] 4-chlorobenzenesulfonate CAS Name: 4-chlorobenzenesulfonic 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] 4-chlorobenzenesulfonate Traditional Name: 4-chlorobenzenesulfonic acid [4-[(2-amino-4-keto-2-thiazolin-5-ylidene)methyl]-2-chloro-6-methoxy-phenyl] ester Formula: C17H12Cl2N2O5S2 MolecularWeight: 459.32358

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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=C(C=C3)Cl

Isomeric SMILES

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

InChI

InChI=1S/C17H12Cl2N2O5S2/c1-25-13-7-9(8-14-16(22)21-17(20)27-14)6-12(19)15(13)26-28(23,24)11-4-2-10(18)3-5-11/h2-8H,1H3,(H2,20,21,22)