methyl 3-(3,3-diethoxypropyl)-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxylate

Systemtic Name: methyl 3-(3,3-diethoxypropyl)-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxylate Openeye Name: methyl 3-(3,3-diethoxypropyl)-4-oxo-2-thioxo-1H-quinazoline-7-carboxylate CAS Name: 3-(3,3-diethoxypropyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxylic acid methyl ester IUPAC Name: methyl 3-(3,3-diethoxypropyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxylate Traditional Name: 3-(3,3-diethoxypropyl)-4-keto-2-thioxo-1H-quinazoline-7-carboxylic acid methyl ester Formula: C17H22N2O5S MolecularWeight: 366.43198

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(CCN1C(=O)C2=C(C=C(C=C2)C(=O)OC)NC1=S)OCC

Isomeric SMILES

CCOC(CCN1C(=O)C2=C(C=C(C=C2)C(=O)OC)NC1=S)OCC

InChI

InChI=1S/C17H22N2O5S/c1-4-23-14(24-5-2)8-9-19-15(20)12-7-6-11(16(21)22-3)10-13(12)18-17(19)25/h6-7,10,14H,4-5,8-9H2,1-3H3,(H,18,25)