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

Systemtic Name: methyl 5-oxidanylidene-1-sulfanylidene-3-(thiophen-2-ylmethylcarbamoyl)-4H-[1,3]thiazolo[3,4-a]quinazoline-8-carboxylate Openeye Name: methyl 5-oxo-3-(2-thienylmethylcarbamoyl)-1-thioxo-4H-thiazolo[3,4-a]quinazoline-8-carboxylate CAS Name: 5-oxo-3-[oxo-(thiophen-2-ylmethylamino)methyl]-1-sulfanylidene-4H-thiazolo[3,4-a]quinazoline-8-carboxylic acid methyl ester IUPAC Name: methyl 5-oxo-1-sulfanylidene-3-(thiophen-2-ylmethylcarbamoyl)-4H-[1,3]thiazolo[3,4-a]quinazoline-8-carboxylate Traditional Name: 5-keto-3-(2-thenylcarbamoyl)-1-thioxo-4H-thiazolo[3,4-a]quinazoline-8-carboxylic acid methyl ester Formula: C18H13N3O4S3 MolecularWeight: 431.50852

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)C(=O)NC3=C(SC(=S)N23)C(=O)NCC4=CC=CS4

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)C(=O)NC3=C(SC(=S)N23)C(=O)NCC4=CC=CS4

InChI

InChI=1S/C18H13N3O4S3/c1-25-17(24)9-4-5-11-12(7-9)21-14(20-15(11)22)13(28-18(21)26)16(23)19-8-10-3-2-6-27-10/h2-7H,8H2,1H3,(H,19,23)(H,20,22)