[4-[(2-azanyl-4-oxidanylidene-1,3-thiazol-5-ylidene)methyl]-2-methoxy-6-prop-2-enyl-phenyl] benzenesulfonate

Systemtic Name: [4-[(2-azanyl-4-oxidanylidene-1,3-thiazol-5-ylidene)methyl]-2-methoxy-6-prop-2-enyl-phenyl] benzenesulfonate Openeye Name: [2-allyl-4-[(2-amino-4-oxo-thiazol-5-ylidene)methyl]-6-methoxy-phenyl] benzenesulfonate CAS Name: benzenesulfonic acid [4-[(2-amino-4-oxo-5-thiazolylidene)methyl]-2-methoxy-6-prop-2-enylphenyl] ester IUPAC Name: [4-[(2-amino-4-oxo-1,3-thiazol-5-ylidene)methyl]-2-methoxy-6-prop-2-enylphenyl] benzenesulfonate Traditional Name: benzenesulfonic acid [2-allyl-4-[(2-amino-4-keto-2-thiazolin-5-ylidene)methyl]-6-methoxy-phenyl] ester Formula: C20H18N2O5S2 MolecularWeight: 430.49732

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OS(=O)(=O)C2=CC=CC=C2)CC=C)C=C3C(=O)N=C(S3)N

Isomeric SMILES

COC1=CC(=CC(=C1OS(=O)(=O)C2=CC=CC=C2)CC=C)C=C3C(=O)N=C(S3)N

InChI

InChI=1S/C20H18N2O5S2/c1-3-7-14-10-13(12-17-19(23)22-20(21)28-17)11-16(26-2)18(14)27-29(24,25)15-8-5-4-6-9-15/h3-6,8-12H,1,7H2,2H3,(H2,21,22,23)