methyl 4-[[(2R)-2-[(4-oxidanylidene-1H-quinazolin-2-yl)sulfanyl]propanoyl]amino]benzoate

Systemtic Name: methyl 4-[[(2R)-2-[(4-oxidanylidene-1H-quinazolin-2-yl)sulfanyl]propanoyl]amino]benzoate Openeye Name: methyl 4-[[(2R)-2-[(4-oxo-1H-quinazolin-2-yl)sulfanyl]propanoyl]amino]benzoate CAS Name: 4-[[(2R)-1-oxo-2-[(4-oxo-1H-quinazolin-2-yl)thio]propyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[(2R)-2-[(4-oxo-1H-quinazolin-2-yl)sulfanyl]propanoyl]amino]benzoate Traditional Name: 4-[[(2R)-2-[(4-keto-1H-quinazolin-2-yl)thio]propanoyl]amino]benzoic acid methyl ester Formula: C19H17N3O4S MolecularWeight: 383.42098

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)C(=O)OC)SC2=NC(=O)C3=CC=CC=C3N2

Isomeric SMILES

C[C@H](C(=O)NC1=CC=C(C=C1)C(=O)OC)SC2=NC(=O)C3=CC=CC=C3N2

InChI

InChI=1S/C19H17N3O4S/c1-11(16(23)20-13-9-7-12(8-10-13)18(25)26-2)27-19-21-15-6-4-3-5-14(15)17(24)22-19/h3-11H,1-2H3,(H,20,23)(H,21,22,24)/t11-/m1/s1