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

Systemtic Name: methyl 5-oxidanylidene-3-(phenylcarbamoyl)-1-sulfanylidene-4H-[1,3]thiazolo[3,4-a]quinazoline-8-carboxylate Openeye Name: methyl 5-oxo-3-(phenylcarbamoyl)-1-thioxo-4H-thiazolo[3,4-a]quinazoline-8-carboxylate CAS Name: 3-[anilino(oxo)methyl]-5-oxo-1-sulfanylidene-4H-thiazolo[3,4-a]quinazoline-8-carboxylic acid methyl ester IUPAC Name: methyl 5-oxo-3-(phenylcarbamoyl)-1-sulfanylidene-4H-[1,3]thiazolo[3,4-a]quinazoline-8-carboxylate Traditional Name: 5-keto-3-(phenylcarbamoyl)-1-thioxo-4H-thiazolo[3,4-a]quinazoline-8-carboxylic acid methyl ester Formula: C19H13N3O4S2 MolecularWeight: 411.45422

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)C(=O)NC3=C(SC(=S)N23)C(=O)NC4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)C(=O)NC3=C(SC(=S)N23)C(=O)NC4=CC=CC=C4

InChI

InChI=1S/C19H13N3O4S2/c1-26-18(25)10-7-8-12-13(9-10)22-15(21-16(12)23)14(28-19(22)27)17(24)20-11-5-3-2-4-6-11/h2-9H,1H3,(H,20,24)(H,21,23)