4-[(4-azanylidene-8-methylsulfonyl-2-oxidanylidene-pyrimido[2,1-b][1,3]benzothiazol-3-ylidene)methyl]benzoic acid

Systemtic Name: 4-[(4-azanylidene-8-methylsulfonyl-2-oxidanylidene-pyrimido[2,1-b][1,3]benzothiazol-3-ylidene)methyl]benzoic acid Openeye Name: 4-[(4-imino-8-methylsulfonyl-2-oxo-pyrimido[2,1-b][1,3]benzothiazol-3-ylidene)methyl]benzoic acid CAS Name: 4-[(4-imino-8-methylsulfonyl-2-oxo-3-pyrimido[2,1-b][1,3]benzothiazolylidene)methyl]benzoic acid IUPAC Name: 4-[(4-imino-8-methylsulfonyl-2-oxopyrimido[2,1-b][1,3]benzothiazol-3-ylidene)methyl]benzoic acid Traditional Name: 4-[(4-imino-2-keto-8-mesyl-pyrimido[2,1-b][1,3]benzothiazol-3-ylidene)methyl]benzoic acid Formula: C19H13N3O5S2 MolecularWeight: 427.45362

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC2=C(C=C1)N3C(=N)C(=CC4=CC=C(C=C4)C(=O)O)C(=O)N=C3S2

Isomeric SMILES

CS(=O)(=O)C1=CC2=C(C=C1)N3C(=N)C(=CC4=CC=C(C=C4)C(=O)O)C(=O)N=C3S2

InChI

InChI=1S/C19H13N3O5S2/c1-29(26,27)12-6-7-14-15(9-12)28-19-21-17(23)13(16(20)22(14)19)8-10-2-4-11(5-3-10)18(24)25/h2-9,20H,1H3,(H,24,25)