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

Systemtic Name: methyl 2-[(1R)-1-cyanoethyl]sulfanyl-4-oxidanylidene-3-[(2R)-2-oxidanylpropyl]quinazoline-7-carboxylate Openeye Name: methyl 2-[(1R)-1-cyanoethyl]sulfanyl-3-[(2R)-2-hydroxypropyl]-4-oxo-quinazoline-7-carboxylate CAS Name: 2-[[(1R)-1-cyanoethyl]thio]-3-[(2R)-2-hydroxypropyl]-4-oxo-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 2-[(1R)-1-cyanoethyl]sulfanyl-3-[(2R)-2-hydroxypropyl]-4-oxoquinazoline-7-carboxylate Traditional Name: 2-[[(1R)-1-cyanoethyl]thio]-3-[(2R)-2-hydroxypropyl]-4-keto-quinazoline-7-carboxylic acid methyl ester Formula: C16H17N3O4S MolecularWeight: 347.38888

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN1C(=O)C2=C(C=C(C=C2)C(=O)OC)N=C1SC(C)C#N)O

Isomeric SMILES

C[C@H](CN1C(=O)C2=C(C=C(C=C2)C(=O)OC)N=C1S[C@H](C)C#N)O

InChI

InChI=1S/C16H17N3O4S/c1-9(20)8-19-14(21)12-5-4-11(15(22)23-3)6-13(12)18-16(19)24-10(2)7-17/h4-6,9-10,20H,8H2,1-3H3/t9-,10-/m1/s1