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

Systemtic Name: methyl 3-[(3-ethyl-4-oxidanylidene-2-sulfanylidene-1H-quinazolin-7-yl)carbonylamino]propanoate Openeye Name: methyl 3-[(3-ethyl-4-oxo-2-thioxo-1H-quinazoline-7-carbonyl)amino]propanoate CAS Name: 3-[[(3-ethyl-4-oxo-2-sulfanylidene-1H-quinazolin-7-yl)-oxomethyl]amino]propanoic acid methyl ester IUPAC Name: methyl 3-[(3-ethyl-4-oxo-2-sulfanylidene-1H-quinazoline-7-carbonyl)amino]propanoate Traditional Name: 3-[(3-ethyl-4-keto-2-thioxo-1H-quinazoline-7-carbonyl)amino]propionic acid methyl ester Formula: C15H17N3O4S MolecularWeight: 335.37818

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=C(C=C(C=C2)C(=O)NCCC(=O)OC)NC1=S

Isomeric SMILES

CCN1C(=O)C2=C(C=C(C=C2)C(=O)NCCC(=O)OC)NC1=S

InChI

InChI=1S/C15H17N3O4S/c1-3-18-14(21)10-5-4-9(8-11(10)17-15(18)23)13(20)16-7-6-12(19)22-2/h4-5,8H,3,6-7H2,1-2H3,(H,16,20)(H,17,23)