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

Systemtic Name: [5-[(2-azanyl-4-oxidanylidene-1,3-thiazol-5-ylidene)methyl]-2-methoxy-phenyl] 4-methylbenzenesulfonate Openeye Name: [5-[(2-amino-4-oxo-thiazol-5-ylidene)methyl]-2-methoxy-phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [5-[(2-amino-4-oxo-5-thiazolylidene)methyl]-2-methoxyphenyl] ester IUPAC Name: [5-[(2-amino-4-oxo-1,3-thiazol-5-ylidene)methyl]-2-methoxyphenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [5-[(2-amino-4-keto-2-thiazolin-5-ylidene)methyl]-2-methoxy-phenyl] ester Formula: C18H16N2O5S2 MolecularWeight: 404.46004

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=CC(=C2)C=C3C(=O)N=C(S3)N)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=CC(=C2)C=C3C(=O)N=C(S3)N)OC

InChI

InChI=1S/C18H16N2O5S2/c1-11-3-6-13(7-4-11)27(22,23)25-15-9-12(5-8-14(15)24-2)10-16-17(21)20-18(19)26-16/h3-10H,1-2H3,(H2,19,20,21)