methyl 3-[3-(6-bromanyl-4-oxidanylidene-quinazolin-3-yl)propanoylamino]-3-thiophen-2-yl-propanoate

Systemtic Name: methyl 3-[3-(6-bromanyl-4-oxidanylidene-quinazolin-3-yl)propanoylamino]-3-thiophen-2-yl-propanoate Openeye Name: methyl 3-[3-(6-bromo-4-oxo-quinazolin-3-yl)propanoylamino]-3-(2-thienyl)propanoate CAS Name: 3-[[3-(6-bromo-4-oxo-3-quinazolinyl)-1-oxopropyl]amino]-3-thiophen-2-ylpropanoic acid methyl ester IUPAC Name: methyl 3-[3-(6-bromo-4-oxoquinazolin-3-yl)propanoylamino]-3-thiophen-2-ylpropanoate Traditional Name: 3-[3-(6-bromo-4-keto-quinazolin-3-yl)propanoylamino]-3-(2-thienyl)propionic acid methyl ester Formula: C19H18BrN3O4S MolecularWeight: 464.33292

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(C1=CC=CS1)NC(=O)CCN2C=NC3=C(C2=O)C=C(C=C3)Br

Isomeric SMILES

COC(=O)CC(C1=CC=CS1)NC(=O)CCN2C=NC3=C(C2=O)C=C(C=C3)Br

InChI

InChI=1S/C19H18BrN3O4S/c1-27-18(25)10-15(16-3-2-8-28-16)22-17(24)6-7-23-11-21-14-5-4-12(20)9-13(14)19(23)26/h2-5,8-9,11,15H,6-7,10H2,1H3,(H,22,24)