2-(2-oxidanylidene-4-phenyl-pyrimido[2,1-b][1,3]benzothiazol-8-yl)ethanoic acid

Systemtic Name: 2-(2-oxidanylidene-4-phenyl-pyrimido[2,1-b][1,3]benzothiazol-8-yl)ethanoic acid Openeye Name: 2-(2-oxo-4-phenyl-pyrimido[2,1-b][1,3]benzothiazol-8-yl)acetic acid CAS Name: 2-(2-oxo-4-phenyl-8-pyrimido[2,1-b][1,3]benzothiazolyl)acetic acid IUPAC Name: 2-(2-oxo-4-phenylpyrimido[2,1-b][1,3]benzothiazol-8-yl)acetic acid Traditional Name: 2-(2-keto-4-phenyl-pyrimido[2,1-b][1,3]benzothiazol-8-yl)acetic acid Formula: C18H12N2O3S MolecularWeight: 336.36448

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC(=O)N=C3N2C4=C(S3)C=C(C=C4)CC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=CC(=O)N=C3N2C4=C(S3)C=C(C=C4)CC(=O)O

InChI

InChI=1S/C18H12N2O3S/c21-16-10-14(12-4-2-1-3-5-12)20-13-7-6-11(9-17(22)23)8-15(13)24-18(20)19-16/h1-8,10H,9H2,(H,22,23)