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

Systemtic Name: 4-[(4-azanylidene-8-ethoxy-2-oxidanylidene-pyrimido[2,1-b][1,3]benzothiazol-3-ylidene)methyl]benzoic acid Openeye Name: 4-[(8-ethoxy-4-imino-2-oxo-pyrimido[2,1-b][1,3]benzothiazol-3-ylidene)methyl]benzoic acid CAS Name: 4-[(8-ethoxy-4-imino-2-oxo-3-pyrimido[2,1-b][1,3]benzothiazolylidene)methyl]benzoic acid IUPAC Name: 4-[(8-ethoxy-4-imino-2-oxopyrimido[2,1-b][1,3]benzothiazol-3-ylidene)methyl]benzoic acid Traditional Name: 4-[(8-ethoxy-4-imino-2-keto-pyrimido[2,1-b][1,3]benzothiazol-3-ylidene)methyl]benzoic acid Formula: C20H15N3O4S MolecularWeight: 393.4158

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N3C(=N)C(=CC4=CC=C(C=C4)C(=O)O)C(=O)N=C3S2

Isomeric SMILES

CCOC1=CC2=C(C=C1)N3C(=N)C(=CC4=CC=C(C=C4)C(=O)O)C(=O)N=C3S2

InChI

InChI=1S/C20H15N3O4S/c1-2-27-13-7-8-15-16(10-13)28-20-22-18(24)14(17(21)23(15)20)9-11-3-5-12(6-4-11)19(25)26/h3-10,21H,2H2,1H3,(H,25,26)