methyl (2S)-2-[3-(3-methylpyridin-2-yl)-4-oxidanylidene-quinazolin-2-yl]sulfanylpropanoate

Systemtic Name: methyl (2S)-2-[3-(3-methylpyridin-2-yl)-4-oxidanylidene-quinazolin-2-yl]sulfanylpropanoate Openeye Name: methyl (2S)-2-[3-(3-methyl-2-pyridyl)-4-oxo-quinazolin-2-yl]sulfanylpropanoate CAS Name: (2S)-2-[[3-(3-methyl-2-pyridinyl)-4-oxo-2-quinazolinyl]thio]propanoic acid methyl ester IUPAC Name: methyl (2S)-2-[3-(3-methylpyridin-2-yl)-4-oxoquinazolin-2-yl]sulfanylpropanoate Traditional Name: (2S)-2-[[4-keto-3-(3-methyl-2-pyridyl)quinazolin-2-yl]thio]propionic acid methyl ester Formula: C18H17N3O3S MolecularWeight: 355.41088

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=CC=C1)N2C(=O)C3=CC=CC=C3N=C2SC(C)C(=O)OC

Isomeric SMILES

CC1=C(N=CC=C1)N2C(=O)C3=CC=CC=C3N=C2S[C@@H](C)C(=O)OC

InChI

InChI=1S/C18H17N3O3S/c1-11-7-6-10-19-15(11)21-16(22)13-8-4-5-9-14(13)20-18(21)25-12(2)17(23)24-3/h4-10,12H,1-3H3/t12-/m0/s1