(2R)-2-[7-chloranyl-3-(3-methylbutyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-4-oxidanyl-butanoate

Systemtic Name: (2R)-2-[7-chloranyl-3-(3-methylbutyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-4-oxidanyl-butanoate Openeye Name: (2R)-2-(7-chloro-3-isopentyl-4-oxo-quinazolin-2-yl)sulfanyl-4-hydroxy-butanoate CAS Name: (2R)-2-[[7-chloro-3-(3-methylbutyl)-4-oxo-2-quinazolinyl]thio]-4-hydroxybutanoate IUPAC Name: (2R)-2-[7-chloro-3-(3-methylbutyl)-4-oxoquinazolin-2-yl]sulfanyl-4-hydroxybutanoate Traditional Name: (2R)-2-[(7-chloro-3-isoamyl-4-keto-quinazolin-2-yl)thio]-4-hydroxy-butyrate Formula: C17H20ClN2O4S- MolecularWeight: 383.8697

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SC(CCO)C(=O)[O-]

Isomeric SMILES

CC(C)CCN1C(=O)C2=C(C=C(C=C2)Cl)N=C1S[C@H](CCO)C(=O)[O-]

InChI

InChI=1S/C17H21ClN2O4S/c1-10(2)5-7-20-15(22)12-4-3-11(18)9-13(12)19-17(20)25-14(6-8-21)16(23)24/h3-4,9-10,14,21H,5-8H2,1-2H3,(H,23,24)/p-1/t14-/m1/s1