methyl N-[(2R)-2-[7-chloranyl-3-(3-methylbutyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylpropanoyl]carbamate

Systemtic Name: methyl N-[(2R)-2-[7-chloranyl-3-(3-methylbutyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylpropanoyl]carbamate Openeye Name: methyl N-[(2R)-2-(7-chloro-3-isopentyl-4-oxo-quinazolin-2-yl)sulfanylpropanoyl]carbamate CAS Name: N-[(2R)-2-[[7-chloro-3-(3-methylbutyl)-4-oxo-2-quinazolinyl]thio]-1-oxopropyl]carbamic acid methyl ester IUPAC Name: methyl N-[(2R)-2-[7-chloro-3-(3-methylbutyl)-4-oxoquinazolin-2-yl]sulfanylpropanoyl]carbamate Traditional Name: N-[(2R)-2-[(7-chloro-3-isoamyl-4-keto-quinazolin-2-yl)thio]propanoyl]carbamic acid methyl ester Formula: C18H22ClN3O4S MolecularWeight: 411.90298

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SC(C)C(=O)NC(=O)OC

Isomeric SMILES

C[C@H](C(=O)NC(=O)OC)SC1=NC2=C(C=CC(=C2)Cl)C(=O)N1CCC(C)C

InChI

InChI=1S/C18H22ClN3O4S/c1-10(2)7-8-22-16(24)13-6-5-12(19)9-14(13)20-17(22)27-11(3)15(23)21-18(25)26-4/h5-6,9-11H,7-8H2,1-4H3,(H,21,23,25)/t11-/m1/s1