5-oxidanylidene-3-(phenethylcarbamoyl)-1-sulfanylidene-4H-[1,3]thiazolo[3,4-a]quinazoline-8-carboxylate

Systemtic Name: 5-oxidanylidene-3-(phenethylcarbamoyl)-1-sulfanylidene-4H-[1,3]thiazolo[3,4-a]quinazoline-8-carboxylate Openeye Name: 5-oxo-3-(phenethylcarbamoyl)-1-thioxo-4H-thiazolo[3,4-a]quinazoline-8-carboxylate CAS Name: 5-oxo-3-[oxo-(phenethylamino)methyl]-1-sulfanylidene-4H-thiazolo[3,4-a]quinazoline-8-carboxylate IUPAC Name: 5-oxo-3-(phenethylcarbamoyl)-1-sulfanylidene-4H-[1,3]thiazolo[3,4-a]quinazoline-8-carboxylate Traditional Name: 5-keto-3-(phenethylcarbamoyl)-1-thioxo-4H-thiazolo[3,4-a]quinazoline-8-carboxylate Formula: C20H14N3O4S2- MolecularWeight: 424.47286

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNC(=O)C2=C3NC(=O)C4=C(N3C(=S)S2)C=C(C=C4)C(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CCNC(=O)C2=C3NC(=O)C4=C(N3C(=S)S2)C=C(C=C4)C(=O)[O-]

InChI

InChI=1S/C20H15N3O4S2/c24-17-13-7-6-12(19(26)27)10-14(13)23-16(22-17)15(29-20(23)28)18(25)21-9-8-11-4-2-1-3-5-11/h1-7,10H,8-9H2,(H,21,25)(H,22,24)(H,26,27)/p-1