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

Systemtic Name: methyl N-[(2R)-2-(7-chloranyl-4-oxidanylidene-3-propan-2-yl-quinazolin-2-yl)sulfanylpropanoyl]carbamate Openeye Name: methyl N-[(2R)-2-(7-chloro-3-isopropyl-4-oxo-quinazolin-2-yl)sulfanylpropanoyl]carbamate CAS Name: N-[(2R)-2-[(7-chloro-4-oxo-3-propan-2-yl-2-quinazolinyl)thio]-1-oxopropyl]carbamic acid methyl ester IUPAC Name: methyl N-[(2R)-2-(7-chloro-4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanylpropanoyl]carbamate Traditional Name: N-[(2R)-2-[(7-chloro-3-isopropyl-4-keto-quinazolin-2-yl)thio]propanoyl]carbamic acid methyl ester Formula: C16H18ClN3O4S MolecularWeight: 383.84982

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=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)N1C(C)C

InChI

InChI=1S/C16H18ClN3O4S/c1-8(2)20-14(22)11-6-5-10(17)7-12(11)18-15(20)25-9(3)13(21)19-16(23)24-4/h5-9H,1-4H3,(H,19,21,23)/t9-/m1/s1