methyl 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-4-oxidanylidene-3-[(2S)-2-oxidanylpropyl]quinazoline-7-carboxylate

Systemtic Name: methyl 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-4-oxidanylidene-3-[(2S)-2-oxidanylpropyl]quinazoline-7-carboxylate Openeye Name: methyl 3-[(2S)-2-hydroxypropyl]-2-[(5-methylisoxazol-3-yl)methylsulfanyl]-4-oxo-quinazoline-7-carboxylate CAS Name: 3-[(2S)-2-hydroxypropyl]-2-[(5-methyl-3-isoxazolyl)methylthio]-4-oxo-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 3-[(2S)-2-hydroxypropyl]-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-4-oxoquinazoline-7-carboxylate Traditional Name: 3-[(2S)-2-hydroxypropyl]-4-keto-2-[(5-methylisoxazol-3-yl)methylthio]quinazoline-7-carboxylic acid methyl ester Formula: C18H19N3O5S MolecularWeight: 389.42556

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)CSC2=NC3=C(C=CC(=C3)C(=O)OC)C(=O)N2CC(C)O

Isomeric SMILES

CC1=CC(=NO1)CSC2=NC3=C(C=CC(=C3)C(=O)OC)C(=O)N2C[C@H](C)O

InChI

InChI=1S/C18H19N3O5S/c1-10(22)8-21-16(23)14-5-4-12(17(24)25-3)7-15(14)19-18(21)27-9-13-6-11(2)26-20-13/h4-7,10,22H,8-9H2,1-3H3/t10-/m0/s1