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

Systemtic Name: [4-[(2-azanyl-4-oxidanylidene-1,3-thiazol-5-ylidene)methyl]-2-bromanyl-phenyl] 4-acetamidobenzenesulfonate Openeye Name: [4-[(2-amino-4-oxo-thiazol-5-ylidene)methyl]-2-bromo-phenyl] 4-acetamidobenzenesulfonate CAS Name: 4-acetamidobenzenesulfonic 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-acetamidobenzenesulfonate Traditional Name: 4-acetamidobenzenesulfonic acid [4-[(2-amino-4-keto-2-thiazolin-5-ylidene)methyl]-2-bromo-phenyl] ester Formula: C18H14BrN3O5S2 MolecularWeight: 496.35486

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2)C=C3C(=O)N=C(S3)N)Br

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2)C=C3C(=O)N=C(S3)N)Br

InChI

InChI=1S/C18H14BrN3O5S2/c1-10(23)21-12-3-5-13(6-4-12)29(25,26)27-15-7-2-11(8-14(15)19)9-16-17(24)22-18(20)28-16/h2-9H,1H3,(H,21,23)(H2,20,22,24)