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

Systemtic Name: methyl 2-[(1R)-1-cyanoethyl]sulfanyl-3-(3-methoxypropyl)-4-oxidanylidene-quinazoline-7-carboxylate Openeye Name: methyl 2-[(1R)-1-cyanoethyl]sulfanyl-3-(3-methoxypropyl)-4-oxo-quinazoline-7-carboxylate CAS Name: 2-[[(1R)-1-cyanoethyl]thio]-3-(3-methoxypropyl)-4-oxo-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 2-[(1R)-1-cyanoethyl]sulfanyl-3-(3-methoxypropyl)-4-oxoquinazoline-7-carboxylate Traditional Name: 2-[[(1R)-1-cyanoethyl]thio]-4-keto-3-(3-methoxypropyl)quinazoline-7-carboxylic acid methyl ester Formula: C17H19N3O4S MolecularWeight: 361.41546

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#N)SC1=NC2=C(C=CC(=C2)C(=O)OC)C(=O)N1CCCOC

Isomeric SMILES

C[C@H](C#N)SC1=NC2=C(C=CC(=C2)C(=O)OC)C(=O)N1CCCOC

InChI

InChI=1S/C17H19N3O4S/c1-11(10-18)25-17-19-14-9-12(16(22)24-3)5-6-13(14)15(21)20(17)7-4-8-23-2/h5-6,9,11H,4,7-8H2,1-3H3/t11-/m1/s1