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

Systemtic Name: methyl 5-oxidanylidene-3-(1-phenylethylcarbamoyl)-1-sulfanylidene-4H-[1,3]thiazolo[3,4-a]quinazoline-8-carboxylate Openeye Name: methyl 5-oxo-3-(1-phenylethylcarbamoyl)-1-thioxo-4H-thiazolo[3,4-a]quinazoline-8-carboxylate CAS Name: 5-oxo-3-[oxo-(1-phenylethylamino)methyl]-1-sulfanylidene-4H-thiazolo[3,4-a]quinazoline-8-carboxylic acid methyl ester IUPAC Name: methyl 5-oxo-3-(1-phenylethylcarbamoyl)-1-sulfanylidene-4H-[1,3]thiazolo[3,4-a]quinazoline-8-carboxylate Traditional Name: 5-keto-3-(1-phenylethylcarbamoyl)-1-thioxo-4H-thiazolo[3,4-a]quinazoline-8-carboxylic acid methyl ester Formula: C21H17N3O4S2 MolecularWeight: 439.50738

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC(=O)C2=C3NC(=O)C4=C(N3C(=S)S2)C=C(C=C4)C(=O)OC

Isomeric SMILES

CC(C1=CC=CC=C1)NC(=O)C2=C3NC(=O)C4=C(N3C(=S)S2)C=C(C=C4)C(=O)OC

InChI

InChI=1S/C21H17N3O4S2/c1-11(12-6-4-3-5-7-12)22-19(26)16-17-23-18(25)14-9-8-13(20(27)28-2)10-15(14)24(17)21(29)30-16/h3-11H,1-2H3,(H,22,26)(H,23,25)