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

Systemtic Name: methyl 3-(butylcarbamoyl)-5-oxidanylidene-1-sulfanylidene-4H-[1,3]thiazolo[3,4-a]quinazoline-8-carboxylate Openeye Name: methyl 3-(butylcarbamoyl)-5-oxo-1-thioxo-4H-thiazolo[3,4-a]quinazoline-8-carboxylate CAS Name: 3-[butylamino(oxo)methyl]-5-oxo-1-sulfanylidene-4H-thiazolo[3,4-a]quinazoline-8-carboxylic acid methyl ester IUPAC Name: methyl 3-(butylcarbamoyl)-5-oxo-1-sulfanylidene-4H-[1,3]thiazolo[3,4-a]quinazoline-8-carboxylate Traditional Name: 3-(butylcarbamoyl)-5-keto-1-thioxo-4H-thiazolo[3,4-a]quinazoline-8-carboxylic acid methyl ester Formula: C17H17N3O4S2 MolecularWeight: 391.46458

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C1=C2NC(=O)C3=C(N2C(=S)S1)C=C(C=C3)C(=O)OC

Isomeric SMILES

CCCCNC(=O)C1=C2NC(=O)C3=C(N2C(=S)S1)C=C(C=C3)C(=O)OC

InChI

InChI=1S/C17H17N3O4S2/c1-3-4-7-18-15(22)12-13-19-14(21)10-6-5-9(16(23)24-2)8-11(10)20(13)17(25)26-12/h5-6,8H,3-4,7H2,1-2H3,(H,18,22)(H,19,21)