methyl 2-[2-[(2R)-1-(cyclohexylamino)-1-oxidanylidene-propan-2-yl]sulfanyl-4-oxidanylidene-quinazolin-3-yl]ethanoate

Systemtic Name: methyl 2-[2-[(2R)-1-(cyclohexylamino)-1-oxidanylidene-propan-2-yl]sulfanyl-4-oxidanylidene-quinazolin-3-yl]ethanoate Openeye Name: methyl 2-[2-[(1R)-2-(cyclohexylamino)-1-methyl-2-oxo-ethyl]sulfanyl-4-oxo-quinazolin-3-yl]acetate CAS Name: 2-[2-[[(2R)-1-(cyclohexylamino)-1-oxopropan-2-yl]thio]-4-oxo-3-quinazolinyl]acetic acid methyl ester IUPAC Name: methyl 2-[2-[(2R)-1-(cyclohexylamino)-1-oxopropan-2-yl]sulfanyl-4-oxoquinazolin-3-yl]acetate Traditional Name: 2-[2-[[(1R)-2-(cyclohexylamino)-2-keto-1-methyl-ethyl]thio]-4-keto-quinazolin-3-yl]acetic acid methyl ester Formula: C20H25N3O4S MolecularWeight: 403.4952

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CCCCC1)SC2=NC3=CC=CC=C3C(=O)N2CC(=O)OC

Isomeric SMILES

C[C@H](C(=O)NC1CCCCC1)SC2=NC3=CC=CC=C3C(=O)N2CC(=O)OC

InChI

InChI=1S/C20H25N3O4S/c1-13(18(25)21-14-8-4-3-5-9-14)28-20-22-16-11-7-6-10-15(16)19(26)23(20)12-17(24)27-2/h6-7,10-11,13-14H,3-5,8-9,12H2,1-2H3,(H,21,25)/t13-/m1/s1