methyl 3-[2-[2-(3-methylpiperidin-1-yl)-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-quinazolin-3-yl]propanoate

Systemtic Name: methyl 3-[2-[2-(3-methylpiperidin-1-yl)-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-quinazolin-3-yl]propanoate Openeye Name: methyl 3-[2-[2-(3-methyl-1-piperidyl)-2-oxo-ethyl]sulfanyl-4-oxo-quinazolin-3-yl]propanoate CAS Name: 3-[2-[[2-(3-methyl-1-piperidinyl)-2-oxoethyl]thio]-4-oxo-3-quinazolinyl]propanoic acid methyl ester IUPAC Name: methyl 3-[2-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]propanoate Traditional Name: 3-[4-keto-2-[[2-keto-2-(3-methylpiperidino)ethyl]thio]quinazolin-3-yl]propionic acid methyl ester Formula: C20H25N3O4S MolecularWeight: 403.4952

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCC(=O)OC

Isomeric SMILES

CC1CCCN(C1)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCC(=O)OC

InChI

InChI=1S/C20H25N3O4S/c1-14-6-5-10-22(12-14)17(24)13-28-20-21-16-8-4-3-7-15(16)19(26)23(20)11-9-18(25)27-2/h3-4,7-8,14H,5-6,9-13H2,1-2H3