methyl 3-[2-[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-quinazolin-3-yl]propanoate

Systemtic Name: methyl 3-[2-[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-quinazolin-3-yl]propanoate Openeye Name: methyl 3-[2-[2-[methyl(2-thienylmethyl)amino]-2-oxo-ethyl]sulfanyl-4-oxo-quinazolin-3-yl]propanoate CAS Name: 3-[2-[[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]thio]-4-oxo-3-quinazolinyl]propanoic acid methyl ester IUPAC Name: methyl 3-[2-[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]propanoate Traditional Name: 3-[4-keto-2-[[2-keto-2-[methyl(2-thenyl)amino]ethyl]thio]quinazolin-3-yl]propionic acid methyl ester Formula: C20H21N3O4S2 MolecularWeight: 431.52844

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CS1)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCC(=O)OC

Isomeric SMILES

CN(CC1=CC=CS1)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCC(=O)OC

InChI

InChI=1S/C20H21N3O4S2/c1-22(12-14-6-5-11-28-14)17(24)13-29-20-21-16-8-4-3-7-15(16)19(26)23(20)10-9-18(25)27-2/h3-8,11H,9-10,12-13H2,1-2H3