methyl 4-[2-[(3-ethyl-4-oxidanylidene-2-sulfanylidene-1H-quinazolin-7-yl)carbonylamino]ethyl]benzoate

Systemtic Name: methyl 4-[2-[(3-ethyl-4-oxidanylidene-2-sulfanylidene-1H-quinazolin-7-yl)carbonylamino]ethyl]benzoate Openeye Name: methyl 4-[2-[(3-ethyl-4-oxo-2-thioxo-1H-quinazoline-7-carbonyl)amino]ethyl]benzoate CAS Name: 4-[2-[[(3-ethyl-4-oxo-2-sulfanylidene-1H-quinazolin-7-yl)-oxomethyl]amino]ethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[2-[(3-ethyl-4-oxo-2-sulfanylidene-1H-quinazoline-7-carbonyl)amino]ethyl]benzoate Traditional Name: 4-[2-[(3-ethyl-4-keto-2-thioxo-1H-quinazoline-7-carbonyl)amino]ethyl]benzoic acid methyl ester Formula: C21H21N3O4S MolecularWeight: 411.47414

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=C(C=C(C=C2)C(=O)NCCC3=CC=C(C=C3)C(=O)OC)NC1=S

Isomeric SMILES

CCN1C(=O)C2=C(C=C(C=C2)C(=O)NCCC3=CC=C(C=C3)C(=O)OC)NC1=S

InChI

InChI=1S/C21H21N3O4S/c1-3-24-19(26)16-9-8-15(12-17(16)23-21(24)29)18(25)22-11-10-13-4-6-14(7-5-13)20(27)28-2/h4-9,12H,3,10-11H2,1-2H3,(H,22,25)(H,23,29)