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

Systemtic Name: 4-[(4-azanylidene-2-oxidanylidene-pyrimido[2,1-b][1,3]benzothiazol-3-ylidene)methyl]benzoic acid Openeye Name: 4-[(4-imino-2-oxo-pyrimido[2,1-b][1,3]benzothiazol-3-ylidene)methyl]benzoic acid CAS Name: 4-[(4-imino-2-oxo-3-pyrimido[2,1-b][1,3]benzothiazolylidene)methyl]benzoic acid IUPAC Name: 4-[(4-imino-2-oxopyrimido[2,1-b][1,3]benzothiazol-3-ylidene)methyl]benzoic acid Traditional Name: 4-[(4-imino-2-keto-pyrimido[2,1-b][1,3]benzothiazol-3-ylidene)methyl]benzoic acid Formula: C18H11N3O3S MolecularWeight: 349.36324

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N3C(=N)C(=CC4=CC=C(C=C4)C(=O)O)C(=O)N=C3S2

Isomeric SMILES

C1=CC=C2C(=C1)N3C(=N)C(=CC4=CC=C(C=C4)C(=O)O)C(=O)N=C3S2

InChI

InChI=1S/C18H11N3O3S/c19-15-12(9-10-5-7-11(8-6-10)17(23)24)16(22)20-18-21(15)13-3-1-2-4-14(13)25-18/h1-9,19H,(H,23,24)