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

Systemtic Name: methyl 3-[(3-ethyl-4-oxidanylidene-2-sulfanylidene-1H-quinazolin-7-yl)carbonyl-(2-methylpropyl)amino]propanoate Openeye Name: methyl 3-[(3-ethyl-4-oxo-2-thioxo-1H-quinazoline-7-carbonyl)-isobutyl-amino]propanoate CAS Name: 3-[[(3-ethyl-4-oxo-2-sulfanylidene-1H-quinazolin-7-yl)-oxomethyl]-(2-methylpropyl)amino]propanoic acid methyl ester IUPAC Name: methyl 3-[(3-ethyl-4-oxo-2-sulfanylidene-1H-quinazoline-7-carbonyl)-(2-methylpropyl)amino]propanoate Traditional Name: 3-[(3-ethyl-4-keto-2-thioxo-1H-quinazoline-7-carbonyl)-isobutyl-amino]propionic acid methyl ester Formula: C19H25N3O4S MolecularWeight: 391.4845

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=C(C=C(C=C2)C(=O)N(CCC(=O)OC)CC(C)C)NC1=S

Isomeric SMILES

CCN1C(=O)C2=C(C=C(C=C2)C(=O)N(CCC(=O)OC)CC(C)C)NC1=S

InChI

InChI=1S/C19H25N3O4S/c1-5-22-18(25)14-7-6-13(10-15(14)20-19(22)27)17(24)21(11-12(2)3)9-8-16(23)26-4/h6-7,10,12H,5,8-9,11H2,1-4H3,(H,20,27)