2-[(4-methoxyphenyl)amino]-4-oxidanylidene-pyrimido[2,1-b][1,3]benzothiazole-3-carbonitrile

Systemtic Name: 2-[(4-methoxyphenyl)amino]-4-oxidanylidene-pyrimido[2,1-b][1,3]benzothiazole-3-carbonitrile Openeye Name: 2-(4-methoxyanilino)-4-oxo-pyrimido[2,1-b][1,3]benzothiazole-3-carbonitrile CAS Name: 2-(4-methoxyanilino)-4-oxo-3-pyrimido[2,1-b][1,3]benzothiazolecarbonitrile IUPAC Name: 2-(4-methoxyanilino)-4-oxopyrimido[2,1-b][1,3]benzothiazole-3-carbonitrile Traditional Name: 4-keto-2-(p-anisidino)pyrimido[2,1-b][1,3]benzothiazole-3-carbonitrile Formula: C18H12N4O2S MolecularWeight: 348.37848

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC2=C(C(=O)N3C4=CC=CC=C4SC3=N2)C#N

Isomeric SMILES

COC1=CC=C(C=C1)NC2=C(C(=O)N3C4=CC=CC=C4SC3=N2)C#N

InChI

InChI=1S/C18H12N4O2S/c1-24-12-8-6-11(7-9-12)20-16-13(10-19)17(23)22-14-4-2-3-5-15(14)25-18(22)21-16/h2-9,20H,1H3