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

Systemtic Name: methyl 3-(azepan-1-ylcarbonyl)-5-oxidanylidene-1-sulfanylidene-4H-[1,3]thiazolo[3,4-a]quinazoline-8-carboxylate Openeye Name: methyl 3-(azepane-1-carbonyl)-5-oxo-1-thioxo-4H-thiazolo[3,4-a]quinazoline-8-carboxylate CAS Name: 3-[1-azepanyl(oxo)methyl]-5-oxo-1-sulfanylidene-4H-thiazolo[3,4-a]quinazoline-8-carboxylic acid methyl ester IUPAC Name: methyl 3-(azepane-1-carbonyl)-5-oxo-1-sulfanylidene-4H-[1,3]thiazolo[3,4-a]quinazoline-8-carboxylate Traditional Name: 3-(azepane-1-carbonyl)-5-keto-1-thioxo-4H-thiazolo[3,4-a]quinazoline-8-carboxylic acid methyl ester Formula: C19H19N3O4S2 MolecularWeight: 417.50186

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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)N4CCCCCC4

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)C(=O)NC3=C(SC(=S)N23)C(=O)N4CCCCCC4

InChI

InChI=1S/C19H19N3O4S2/c1-26-18(25)11-6-7-12-13(10-11)22-15(20-16(12)23)14(28-19(22)27)17(24)21-8-4-2-3-5-9-21/h6-7,10H,2-5,8-9H2,1H3,(H,20,23)