methyl (3R)-3-[6-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)hexanoylamino]-3-phenyl-propanoate

Systemtic Name: methyl (3R)-3-[6-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)hexanoylamino]-3-phenyl-propanoate Openeye Name: methyl (3R)-3-[6-(4-oxo-2-thioxo-1H-quinazolin-3-yl)hexanoylamino]-3-phenyl-propanoate CAS Name: (3R)-3-[[1-oxo-6-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)hexyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl (3R)-3-[6-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)hexanoylamino]-3-phenylpropanoate Traditional Name: (3R)-3-[6-(4-keto-2-thioxo-1H-quinazolin-3-yl)hexanoylamino]-3-phenyl-propionic acid methyl ester Formula: C24H27N3O4S MolecularWeight: 453.55388

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(C1=CC=CC=C1)NC(=O)CCCCCN2C(=O)C3=CC=CC=C3NC2=S

Isomeric SMILES

COC(=O)C[C@H](C1=CC=CC=C1)NC(=O)CCCCCN2C(=O)C3=CC=CC=C3NC2=S

InChI

InChI=1S/C24H27N3O4S/c1-31-22(29)16-20(17-10-4-2-5-11-17)25-21(28)14-6-3-9-15-27-23(30)18-12-7-8-13-19(18)26-24(27)32/h2,4-5,7-8,10-13,20H,3,6,9,14-16H2,1H3,(H,25,28)(H,26,32)/t20-/m1/s1