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

Systemtic Name: methyl 2-[(1R)-1-cyanoethyl]sulfanyl-4-oxidanylidene-3-[[(2S)-oxolan-2-yl]methyl]quinazoline-7-carboxylate Openeye Name: methyl 2-[(1R)-1-cyanoethyl]sulfanyl-4-oxo-3-[[(2S)-tetrahydrofuran-2-yl]methyl]quinazoline-7-carboxylate CAS Name: 2-[[(1R)-1-cyanoethyl]thio]-4-oxo-3-[[(2S)-2-oxolanyl]methyl]-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 2-[(1R)-1-cyanoethyl]sulfanyl-4-oxo-3-[[(2S)-oxolan-2-yl]methyl]quinazoline-7-carboxylate Traditional Name: 2-[[(1R)-1-cyanoethyl]thio]-4-keto-3-[[(2S)-tetrahydrofuran-2-yl]methyl]quinazoline-7-carboxylic acid methyl ester Formula: C18H19N3O4S MolecularWeight: 373.42616

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#N)SC1=NC2=C(C=CC(=C2)C(=O)OC)C(=O)N1CC3CCCO3

Isomeric SMILES

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

InChI

InChI=1S/C18H19N3O4S/c1-11(9-19)26-18-20-15-8-12(17(23)24-2)5-6-14(15)16(22)21(18)10-13-4-3-7-25-13/h5-6,8,11,13H,3-4,7,10H2,1-2H3/t11-,13+/m1/s1