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

Systemtic Name: methyl 3-[3-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)propanoylamino]-3-phenyl-propanoate Openeye Name: methyl 3-[3-(4-oxo-2-thioxo-1H-quinazolin-3-yl)propanoylamino]-3-phenyl-propanoate CAS Name: 3-[[1-oxo-3-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)propyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl 3-[3-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)propanoylamino]-3-phenylpropanoate Traditional Name: 3-[3-(4-keto-2-thioxo-1H-quinazolin-3-yl)propanoylamino]-3-phenyl-propionic acid methyl ester Formula: C21H21N3O4S MolecularWeight: 411.47414

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(C1=CC=CC=C1)NC(=O)CCN2C(=O)C3=CC=CC=C3NC2=S

Isomeric SMILES

COC(=O)CC(C1=CC=CC=C1)NC(=O)CCN2C(=O)C3=CC=CC=C3NC2=S

InChI

InChI=1S/C21H21N3O4S/c1-28-19(26)13-17(14-7-3-2-4-8-14)22-18(25)11-12-24-20(27)15-9-5-6-10-16(15)23-21(24)29/h2-10,17H,11-13H2,1H3,(H,22,25)(H,23,29)