2-[4-[(2E)-2-(2-methoxycarbonyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)hydrazinyl]phenyl]-6-methyl-1,3-benzothiazole-7-sulfonic acid

Systemtic Name: 2-[4-[(2E)-2-(2-methoxycarbonyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)hydrazinyl]phenyl]-6-methyl-1,3-benzothiazole-7-sulfonic acid Openeye Name: 2-[4-[(2E)-2-(2-methoxycarbonyl-4-oxo-cyclohexa-2,5-dien-1-ylidene)hydrazino]phenyl]-6-methyl-1,3-benzothiazole-7-sulfonic acid CAS Name: 2-[4-[(2E)-2-(2-methoxycarbonyl-4-oxo-1-cyclohexa-2,5-dienylidene)hydrazinyl]phenyl]-6-methyl-1,3-benzothiazole-7-sulfonic acid IUPAC Name: 2-[4-[(2E)-2-(2-methoxycarbonyl-4-oxocyclohexa-2,5-dien-1-ylidene)hydrazinyl]phenyl]-6-methyl-1,3-benzothiazole-7-sulfonic acid Traditional Name: 2-[4-[(N'E)-N'-(2-carbomethoxy-4-keto-cyclohexa-2,5-dien-1-ylidene)hydrazino]phenyl]-6-methyl-1,3-benzothiazole-7-sulfonic acid Formula: C22H17N3O6S2 MolecularWeight: 483.51688

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NN=C4C=CC(=O)C=C4C(=O)OC)S(=O)(=O)O

Isomeric SMILES

CC1=C(C2=C(C=C1)N=C(S2)C3=CC=C(C=C3)N/N=C/4\C=CC(=O)C=C4C(=O)OC)S(=O)(=O)O

InChI

InChI=1S/C22H17N3O6S2/c1-12-3-9-18-19(20(12)33(28,29)30)32-21(23-18)13-4-6-14(7-5-13)24-25-17-10-8-15(26)11-16(17)22(27)31-2/h3-11,24H,1-2H3,(H,28,29,30)/b25-17+