methyl 2-[4-oxidanylidene-2-[2-oxidanylidene-2-[[(1R)-1-phenylethyl]amino]ethyl]sulfanyl-quinazolin-3-yl]ethanoate

Systemtic Name: methyl 2-[4-oxidanylidene-2-[2-oxidanylidene-2-[[(1R)-1-phenylethyl]amino]ethyl]sulfanyl-quinazolin-3-yl]ethanoate Openeye Name: methyl 2-[4-oxo-2-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]sulfanyl-quinazolin-3-yl]acetate CAS Name: 2-[4-oxo-2-[[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]thio]-3-quinazolinyl]acetic acid methyl ester IUPAC Name: methyl 2-[4-oxo-2-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]sulfanylquinazolin-3-yl]acetate Traditional Name: 2-[4-keto-2-[[2-keto-2-[[(1R)-1-phenylethyl]amino]ethyl]thio]quinazolin-3-yl]acetic acid methyl ester Formula: C21H21N3O4S MolecularWeight: 411.47414

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CC(=O)OC

Isomeric SMILES

C[C@H](C1=CC=CC=C1)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CC(=O)OC

InChI

InChI=1S/C21H21N3O4S/c1-14(15-8-4-3-5-9-15)22-18(25)13-29-21-23-17-11-7-6-10-16(17)20(27)24(21)12-19(26)28-2/h3-11,14H,12-13H2,1-2H3,(H,22,25)/t14-/m1/s1