methyl 5-oxidanylidene-3-(prop-2-enylcarbamoyl)-1-sulfanylidene-4H-[1,3]thiazolo[3,4-a]quinazoline-8-carboxylate

Systemtic Name: methyl 5-oxidanylidene-3-(prop-2-enylcarbamoyl)-1-sulfanylidene-4H-[1,3]thiazolo[3,4-a]quinazoline-8-carboxylate Openeye Name: methyl 3-(allylcarbamoyl)-5-oxo-1-thioxo-4H-thiazolo[3,4-a]quinazoline-8-carboxylate CAS Name: 5-oxo-3-[oxo-(prop-2-enylamino)methyl]-1-sulfanylidene-4H-thiazolo[3,4-a]quinazoline-8-carboxylic acid methyl ester IUPAC Name: methyl 5-oxo-3-(prop-2-enylcarbamoyl)-1-sulfanylidene-4H-[1,3]thiazolo[3,4-a]quinazoline-8-carboxylate Traditional Name: 3-(allylcarbamoyl)-5-keto-1-thioxo-4H-thiazolo[3,4-a]quinazoline-8-carboxylic acid methyl ester Formula: C16H13N3O4S2 MolecularWeight: 375.42212

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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)NCC=C

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)C(=O)NC3=C(SC(=S)N23)C(=O)NCC=C

InChI

InChI=1S/C16H13N3O4S2/c1-3-6-17-14(21)11-12-18-13(20)9-5-4-8(15(22)23-2)7-10(9)19(12)16(24)25-11/h3-5,7H,1,6H2,2H3,(H,17,21)(H,18,20)