methyl (2R)-2-[2-(3-cyclopropyl-4-oxidanylidene-quinazolin-2-yl)sulfanylethanoylamino]-4-methyl-pentanoate

Systemtic Name: methyl (2R)-2-[2-(3-cyclopropyl-4-oxidanylidene-quinazolin-2-yl)sulfanylethanoylamino]-4-methyl-pentanoate Openeye Name: methyl (2R)-2-[[2-(3-cyclopropyl-4-oxo-quinazolin-2-yl)sulfanylacetyl]amino]-4-methyl-pentanoate CAS Name: (2R)-2-[[2-[(3-cyclopropyl-4-oxo-2-quinazolinyl)thio]-1-oxoethyl]amino]-4-methylpentanoic acid methyl ester IUPAC Name: methyl (2R)-2-[[2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanylacetyl]amino]-4-methylpentanoate Traditional Name: (2R)-2-[[2-[(3-cyclopropyl-4-keto-quinazolin-2-yl)thio]acetyl]amino]-4-methyl-valeric acid methyl ester Formula: C20H25N3O4S MolecularWeight: 403.4952

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)OC)NC(=O)CSC1=NC2=CC=CC=C2C(=O)N1C3CC3

Isomeric SMILES

CC(C)C[C@H](C(=O)OC)NC(=O)CSC1=NC2=CC=CC=C2C(=O)N1C3CC3

InChI

InChI=1S/C20H25N3O4S/c1-12(2)10-16(19(26)27-3)21-17(24)11-28-20-22-15-7-5-4-6-14(15)18(25)23(20)13-8-9-13/h4-7,12-13,16H,8-11H2,1-3H3,(H,21,24)/t16-/m1/s1