(2R)-2-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)-3-phenyl-propanoate

Systemtic Name: (2R)-2-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)-3-phenyl-propanoate Openeye Name: (2R)-2-(4-oxo-2-thioxo-1H-quinazolin-3-yl)-3-phenyl-propanoate CAS Name: (2R)-2-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)-3-phenylpropanoate IUPAC Name: (2R)-2-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)-3-phenylpropanoate Traditional Name: (2R)-2-(4-keto-2-thioxo-1H-quinazolin-3-yl)-3-phenyl-propionate Formula: C17H13N2O3S- MolecularWeight: 325.36172

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)[O-])N2C(=O)C3=CC=CC=C3NC2=S

Isomeric SMILES

C1=CC=C(C=C1)C[C@H](C(=O)[O-])N2C(=O)C3=CC=CC=C3NC2=S

InChI

InChI=1S/C17H14N2O3S/c20-15-12-8-4-5-9-13(12)18-17(23)19(15)14(16(21)22)10-11-6-2-1-3-7-11/h1-9,14H,10H2,(H,18,23)(H,21,22)/p-1/t14-/m1/s1