[4-[(2-azanyl-4-oxidanylidene-1,3-thiazol-5-ylidene)methyl]-2-ethoxy-6-iodanyl-phenyl] 4-methylbenzenesulfonate

Systemtic Name: [4-[(2-azanyl-4-oxidanylidene-1,3-thiazol-5-ylidene)methyl]-2-ethoxy-6-iodanyl-phenyl] 4-methylbenzenesulfonate Openeye Name: [4-[(2-amino-4-oxo-thiazol-5-ylidene)methyl]-2-ethoxy-6-iodo-phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [4-[(2-amino-4-oxo-5-thiazolylidene)methyl]-2-ethoxy-6-iodophenyl] ester IUPAC Name: [4-[(2-amino-4-oxo-1,3-thiazol-5-ylidene)methyl]-2-ethoxy-6-iodophenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [4-[(2-amino-4-keto-2-thiazolin-5-ylidene)methyl]-2-ethoxy-6-iodo-phenyl] ester Formula: C19H17IN2O5S2 MolecularWeight: 544.38315

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C=C2C(=O)N=C(S2)N)I)OS(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C=C2C(=O)N=C(S2)N)I)OS(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C19H17IN2O5S2/c1-3-26-15-9-12(10-16-18(23)22-19(21)28-16)8-14(20)17(15)27-29(24,25)13-6-4-11(2)5-7-13/h4-10H,3H2,1-2H3,(H2,21,22,23)