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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=CC=C1)SC2=NC3=CC=CC=C3C(=O)N2CC(=O)OC

Isomeric SMILES

C[C@H](C(=O)NCC1=CC=CC=C1)SC2=NC3=CC=CC=C3C(=O)N2CC(=O)OC

InChI

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