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

Systemtic Name: methyl 5-oxidanylidene-3-piperidin-1-ylcarbonyl-1-sulfanylidene-4H-[1,3]thiazolo[3,4-a]quinazoline-8-carboxylate Openeye Name: methyl 5-oxo-3-(piperidine-1-carbonyl)-1-thioxo-4H-thiazolo[3,4-a]quinazoline-8-carboxylate CAS Name: 5-oxo-3-[oxo(1-piperidinyl)methyl]-1-sulfanylidene-4H-thiazolo[3,4-a]quinazoline-8-carboxylic acid methyl ester IUPAC Name: methyl 5-oxo-3-(piperidine-1-carbonyl)-1-sulfanylidene-4H-[1,3]thiazolo[3,4-a]quinazoline-8-carboxylate Traditional Name: 5-keto-3-(piperidine-1-carbonyl)-1-thioxo-4H-thiazolo[3,4-a]quinazoline-8-carboxylic acid methyl ester Formula: C18H17N3O4S2 MolecularWeight: 403.47528

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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)N4CCCCC4

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)C(=O)NC3=C(SC(=S)N23)C(=O)N4CCCCC4

InChI

InChI=1S/C18H17N3O4S2/c1-25-17(24)10-5-6-11-12(9-10)21-14(19-15(11)22)13(27-18(21)26)16(23)20-7-3-2-4-8-20/h5-6,9H,2-4,7-8H2,1H3,(H,19,22)