(2R)-2-[(4-oxidanylidene-1H-quinazolin-2-yl)sulfanyl]butanoate

Systemtic Name: (2R)-2-[(4-oxidanylidene-1H-quinazolin-2-yl)sulfanyl]butanoate Openeye Name: (2R)-2-[(4-oxo-1H-quinazolin-2-yl)sulfanyl]butanoate CAS Name: (2R)-2-[(4-oxo-1H-quinazolin-2-yl)thio]butanoate IUPAC Name: (2R)-2-[(4-oxo-1H-quinazolin-2-yl)sulfanyl]butanoate Traditional Name: (2R)-2-[(4-keto-1H-quinazolin-2-yl)thio]butyrate Formula: C12H11N2O3S- MolecularWeight: 263.29234

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)[O-])SC1=NC(=O)C2=CC=CC=C2N1

Isomeric SMILES

CC[C@H](C(=O)[O-])SC1=NC(=O)C2=CC=CC=C2N1

InChI

InChI=1S/C12H12N2O3S/c1-2-9(11(16)17)18-12-13-8-6-4-3-5-7(8)10(15)14-12/h3-6,9H,2H2,1H3,(H,16,17)(H,13,14,15)/p-1/t9-/m1/s1