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

Systemtic Name: [4-[(2-azanyl-4-oxidanylidene-1,3-thiazol-5-ylidene)methyl]phenyl] 4-acetamidobenzenesulfonate Openeye Name: [4-[(2-amino-4-oxo-thiazol-5-ylidene)methyl]phenyl] 4-acetamidobenzenesulfonate CAS Name: 4-acetamidobenzenesulfonic acid [4-[(2-amino-4-oxo-5-thiazolylidene)methyl]phenyl] ester IUPAC Name: [4-[(2-amino-4-oxo-1,3-thiazol-5-ylidene)methyl]phenyl] 4-acetamidobenzenesulfonate Traditional Name: 4-acetamidobenzenesulfonic acid [4-[(2-amino-4-keto-2-thiazolin-5-ylidene)methyl]phenyl] ester Formula: C18H15N3O5S2 MolecularWeight: 417.4588

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H15N3O5S2/c1-11(22)20-13-4-8-15(9-5-13)28(24,25)26-14-6-2-12(3-7-14)10-16-17(23)21-18(19)27-16/h2-10H,1H3,(H,20,22)(H2,19,21,23)