methyl N-[(2R)-2-[6-chloranyl-3-(2-methylpropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylpropanoyl]carbamate

Systemtic Name: methyl N-[(2R)-2-[6-chloranyl-3-(2-methylpropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylpropanoyl]carbamate Openeye Name: methyl N-[(2R)-2-(6-chloro-3-isobutyl-4-oxo-quinazolin-2-yl)sulfanylpropanoyl]carbamate CAS Name: N-[(2R)-2-[[6-chloro-3-(2-methylpropyl)-4-oxo-2-quinazolinyl]thio]-1-oxopropyl]carbamic acid methyl ester IUPAC Name: methyl N-[(2R)-2-[6-chloro-3-(2-methylpropyl)-4-oxoquinazolin-2-yl]sulfanylpropanoyl]carbamate Traditional Name: N-[(2R)-2-[(6-chloro-3-isobutyl-4-keto-quinazolin-2-yl)thio]propanoyl]carbamic acid methyl ester Formula: C17H20ClN3O4S MolecularWeight: 397.8764

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=O)C2=C(C=CC(=C2)Cl)N=C1SC(C)C(=O)NC(=O)OC

Isomeric SMILES

C[C@H](C(=O)NC(=O)OC)SC1=NC2=C(C=C(C=C2)Cl)C(=O)N1CC(C)C

InChI

InChI=1S/C17H20ClN3O4S/c1-9(2)8-21-15(23)12-7-11(18)5-6-13(12)19-16(21)26-10(3)14(22)20-17(24)25-4/h5-7,9-10H,8H2,1-4H3,(H,20,22,24)/t10-/m1/s1