[4-[(2-acetamido-4-oxidanylidene-1,3-thiazol-5-ylidene)methyl]-2-bromanyl-6-methoxy-phenyl] 4-methylbenzenesulfonate

Systemtic Name: [4-[(2-acetamido-4-oxidanylidene-1,3-thiazol-5-ylidene)methyl]-2-bromanyl-6-methoxy-phenyl] 4-methylbenzenesulfonate Openeye Name: [4-[(2-acetamido-4-oxo-thiazol-5-ylidene)methyl]-2-bromo-6-methoxy-phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [4-[(2-acetamido-4-oxo-5-thiazolylidene)methyl]-2-bromo-6-methoxyphenyl] ester IUPAC Name: [4-[(2-acetamido-4-oxo-1,3-thiazol-5-ylidene)methyl]-2-bromo-6-methoxyphenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [4-[(2-acetamido-4-keto-2-thiazolin-5-ylidene)methyl]-2-bromo-6-methoxy-phenyl] ester Formula: C20H17BrN2O6S2 MolecularWeight: 525.39278

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2Br)C=C3C(=O)N=C(S3)NC(=O)C)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2Br)C=C3C(=O)N=C(S3)NC(=O)C)OC

InChI

InChI=1S/C20H17BrN2O6S2/c1-11-4-6-14(7-5-11)31(26,27)29-18-15(21)8-13(9-16(18)28-3)10-17-19(25)23-20(30-17)22-12(2)24/h4-10H,1-3H3,(H,22,23,24,25)