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

Systemtic Name: methyl 2-[(2R)-1-azanyl-1-oxidanylidene-propan-2-yl]sulfanyl-4-oxidanylidene-3-[[(2R)-oxolan-2-yl]methyl]quinazoline-7-carboxylate Openeye Name: methyl 2-[(1R)-2-amino-1-methyl-2-oxo-ethyl]sulfanyl-4-oxo-3-[[(2R)-tetrahydrofuran-2-yl]methyl]quinazoline-7-carboxylate CAS Name: 2-[[(2R)-1-amino-1-oxopropan-2-yl]thio]-4-oxo-3-[[(2R)-2-oxolanyl]methyl]-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 2-[(2R)-1-amino-1-oxopropan-2-yl]sulfanyl-4-oxo-3-[[(2R)-oxolan-2-yl]methyl]quinazoline-7-carboxylate Traditional Name: 2-[[(1R)-2-amino-2-keto-1-methyl-ethyl]thio]-4-keto-3-[[(2R)-tetrahydrofuran-2-yl]methyl]quinazoline-7-carboxylic acid methyl ester Formula: C18H21N3O5S MolecularWeight: 391.44144

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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)N1CC3CCCO3

Isomeric SMILES

C[C@H](C(=O)N)SC1=NC2=C(C=CC(=C2)C(=O)OC)C(=O)N1C[C@H]3CCCO3

InChI

InChI=1S/C18H21N3O5S/c1-10(15(19)22)27-18-20-14-8-11(17(24)25-2)5-6-13(14)16(23)21(18)9-12-4-3-7-26-12/h5-6,8,10,12H,3-4,7,9H2,1-2H3,(H2,19,22)/t10-,12-/m1/s1