[4-[(2-azanyl-4-oxidanylidene-1,3-thiazol-5-ylidene)methyl]-2-bromanyl-phenyl] 4-tert-butylbenzoate

Systemtic Name: [4-[(2-azanyl-4-oxidanylidene-1,3-thiazol-5-ylidene)methyl]-2-bromanyl-phenyl] 4-tert-butylbenzoate Openeye Name: [4-[(2-amino-4-oxo-thiazol-5-ylidene)methyl]-2-bromo-phenyl] 4-tert-butylbenzoate CAS Name: 4-tert-butylbenzoic acid [4-[(2-amino-4-oxo-5-thiazolylidene)methyl]-2-bromophenyl] ester IUPAC Name: [4-[(2-amino-4-oxo-1,3-thiazol-5-ylidene)methyl]-2-bromophenyl] 4-tert-butylbenzoate Traditional Name: 4-tert-butylbenzoic acid [4-[(2-amino-4-keto-2-thiazolin-5-ylidene)methyl]-2-bromo-phenyl] ester Formula: C21H19BrN2O3S MolecularWeight: 459.35616

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)C=C3C(=O)N=C(S3)N)Br

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)C=C3C(=O)N=C(S3)N)Br

InChI

InChI=1S/C21H19BrN2O3S/c1-21(2,3)14-7-5-13(6-8-14)19(26)27-16-9-4-12(10-15(16)22)11-17-18(25)24-20(23)28-17/h4-11H,1-3H3,(H2,23,24,25)