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

Systemtic Name: [4-[(Z)-(2-azanyl-4-oxidanylidene-1,3-thiazol-5-ylidene)methyl]-2-iodanyl-6-methoxy-phenyl] 4-methylbenzenesulfonate Openeye Name: [4-[(Z)-(2-amino-4-oxo-thiazol-5-ylidene)methyl]-2-iodo-6-methoxy-phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [4-[(Z)-(2-amino-4-oxo-5-thiazolylidene)methyl]-2-iodo-6-methoxyphenyl] ester IUPAC Name: [4-[(Z)-(2-amino-4-oxo-1,3-thiazol-5-ylidene)methyl]-2-iodo-6-methoxyphenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [4-[(Z)-(2-amino-4-keto-2-thiazolin-5-ylidene)methyl]-2-iodo-6-methoxy-phenyl] ester Formula: C18H15IN2O5S2 MolecularWeight: 530.35657

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2I)C=C3C(=O)N=C(S3)N)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2I)/C=C\3/C(=O)N=C(S3)N)OC

InChI

InChI=1S/C18H15IN2O5S2/c1-10-3-5-12(6-4-10)28(23,24)26-16-13(19)7-11(8-14(16)25-2)9-15-17(22)21-18(20)27-15/h3-9H,1-2H3,(H2,20,21,22)/b15-9-