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

Systemtic Name: methyl 2-[2-[(2R)-1-(cycloheptylamino)-1-oxidanylidene-propan-2-yl]sulfanyl-4-oxidanylidene-quinazolin-3-yl]ethanoate Openeye Name: methyl 2-[2-[(1R)-2-(cycloheptylamino)-1-methyl-2-oxo-ethyl]sulfanyl-4-oxo-quinazolin-3-yl]acetate CAS Name: 2-[2-[[(2R)-1-(cycloheptylamino)-1-oxopropan-2-yl]thio]-4-oxo-3-quinazolinyl]acetic acid methyl ester IUPAC Name: methyl 2-[2-[(2R)-1-(cycloheptylamino)-1-oxopropan-2-yl]sulfanyl-4-oxoquinazolin-3-yl]acetate Traditional Name: 2-[2-[[(1R)-2-(cycloheptylamino)-2-keto-1-methyl-ethyl]thio]-4-keto-quinazolin-3-yl]acetic acid methyl ester Formula: C21H27N3O4S MolecularWeight: 417.52178

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CCCCCC1)SC2=NC3=CC=CC=C3C(=O)N2CC(=O)OC

Isomeric SMILES

C[C@H](C(=O)NC1CCCCCC1)SC2=NC3=CC=CC=C3C(=O)N2CC(=O)OC

InChI

InChI=1S/C21H27N3O4S/c1-14(19(26)22-15-9-5-3-4-6-10-15)29-21-23-17-12-8-7-11-16(17)20(27)24(21)13-18(25)28-2/h7-8,11-12,14-15H,3-6,9-10,13H2,1-2H3,(H,22,26)/t14-/m1/s1