2-azanyl-3-[3-[(4-oxidanylidene-1H-quinazolin-2-yl)sulfanylmethyl]phenyl]propanoic acid

Systemtic Name: 2-azanyl-3-[3-[(4-oxidanylidene-1H-quinazolin-2-yl)sulfanylmethyl]phenyl]propanoic acid Openeye Name: 2-amino-3-[3-[(4-oxo-1H-quinazolin-2-yl)sulfanylmethyl]phenyl]propanoic acid CAS Name: 2-amino-3-[3-[[(4-oxo-1H-quinazolin-2-yl)thio]methyl]phenyl]propanoic acid IUPAC Name: 2-amino-3-[3-[(4-oxo-1H-quinazolin-2-yl)sulfanylmethyl]phenyl]propanoic acid Traditional Name: 2-amino-3-[3-[[(4-keto-1H-quinazolin-2-yl)thio]methyl]phenyl]propionic acid Formula: C18H17N3O3S MolecularWeight: 355.41088

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N=C(N2)SCC3=CC=CC(=C3)CC(C(=O)O)N

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N=C(N2)SCC3=CC=CC(=C3)CC(C(=O)O)N

InChI

InChI=1S/C18H17N3O3S/c19-14(17(23)24)9-11-4-3-5-12(8-11)10-25-18-20-15-7-2-1-6-13(15)16(22)21-18/h1-8,14H,9-10,19H2,(H,23,24)(H,20,21,22)