methyl 3-[2-[2-(butan-2-ylamino)-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-quinazolin-3-yl]propanoate

Systemtic Name: methyl 3-[2-[2-(butan-2-ylamino)-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-quinazolin-3-yl]propanoate Openeye Name: methyl 3-[4-oxo-2-[2-oxo-2-(sec-butylamino)ethyl]sulfanyl-quinazolin-3-yl]propanoate CAS Name: 3-[2-[[2-(butan-2-ylamino)-2-oxoethyl]thio]-4-oxo-3-quinazolinyl]propanoic acid methyl ester IUPAC Name: methyl 3-[2-[2-(butan-2-ylamino)-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]propanoate Traditional Name: 3-[4-keto-2-[[2-keto-2-(sec-butylamino)ethyl]thio]quinazolin-3-yl]propionic acid methyl ester Formula: C18H23N3O4S MolecularWeight: 377.45792

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)CSC1=NC2=CC=CC=C2C(=O)N1CCC(=O)OC

Isomeric SMILES

CCC(C)NC(=O)CSC1=NC2=CC=CC=C2C(=O)N1CCC(=O)OC

InChI

InChI=1S/C18H23N3O4S/c1-4-12(2)19-15(22)11-26-18-20-14-8-6-5-7-13(14)17(24)21(18)10-9-16(23)25-3/h5-8,12H,4,9-11H2,1-3H3,(H,19,22)