methyl 2-[(2R)-1-azanyl-1-oxidanylidene-propan-2-yl]sulfanyl-4-oxidanylidene-3-phenethyl-quinazoline-7-carboxylate

Systemtic Name: methyl 2-[(2R)-1-azanyl-1-oxidanylidene-propan-2-yl]sulfanyl-4-oxidanylidene-3-phenethyl-quinazoline-7-carboxylate Openeye Name: methyl 2-[(1R)-2-amino-1-methyl-2-oxo-ethyl]sulfanyl-4-oxo-3-phenethyl-quinazoline-7-carboxylate CAS Name: 2-[[(2R)-1-amino-1-oxopropan-2-yl]thio]-4-oxo-3-phenethyl-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 2-[(2R)-1-amino-1-oxopropan-2-yl]sulfanyl-4-oxo-3-phenethylquinazoline-7-carboxylate Traditional Name: 2-[[(1R)-2-amino-2-keto-1-methyl-ethyl]thio]-4-keto-3-phenethyl-quinazoline-7-carboxylic acid methyl ester Formula: C21H21N3O4S MolecularWeight: 411.47414

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N)SC1=NC2=C(C=CC(=C2)C(=O)OC)C(=O)N1CCC3=CC=CC=C3

Isomeric SMILES

C[C@H](C(=O)N)SC1=NC2=C(C=CC(=C2)C(=O)OC)C(=O)N1CCC3=CC=CC=C3

InChI

InChI=1S/C21H21N3O4S/c1-13(18(22)25)29-21-23-17-12-15(20(27)28-2)8-9-16(17)19(26)24(21)11-10-14-6-4-3-5-7-14/h3-9,12-13H,10-11H2,1-2H3,(H2,22,25)/t13-/m1/s1