methyl 3-[2-[2-[[(1R)-1-cyano-1-cyclopropyl-ethyl]amino]-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-quinazolin-3-yl]propanoate

Systemtic Name: methyl 3-[2-[2-[[(1R)-1-cyano-1-cyclopropyl-ethyl]amino]-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-quinazolin-3-yl]propanoate Openeye Name: methyl 3-[2-[2-[[(1R)-1-cyano-1-cyclopropyl-ethyl]amino]-2-oxo-ethyl]sulfanyl-4-oxo-quinazolin-3-yl]propanoate CAS Name: 3-[2-[[2-[[(1R)-1-cyano-1-cyclopropylethyl]amino]-2-oxoethyl]thio]-4-oxo-3-quinazolinyl]propanoic acid methyl ester IUPAC Name: methyl 3-[2-[2-[[(1R)-1-cyano-1-cyclopropylethyl]amino]-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]propanoate Traditional Name: 3-[2-[[2-[[(1R)-1-cyano-1-cyclopropyl-ethyl]amino]-2-keto-ethyl]thio]-4-keto-quinazolin-3-yl]propionic acid methyl ester Formula: C20H22N4O4S MolecularWeight: 414.47808

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#N)(C1CC1)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCC(=O)OC

Isomeric SMILES

C[C@](C#N)(C1CC1)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCC(=O)OC

InChI

InChI=1S/C20H22N4O4S/c1-20(12-21,13-7-8-13)23-16(25)11-29-19-22-15-6-4-3-5-14(15)18(27)24(19)10-9-17(26)28-2/h3-6,13H,7-11H2,1-2H3,(H,23,25)/t20-/m0/s1