methyl 4-oxidanylidene-2-[2-oxidanylidene-2-(prop-2-enylamino)ethyl]sulfanyl-3-phenethyl-quinazoline-7-carboxylate

Systemtic Name: methyl 4-oxidanylidene-2-[2-oxidanylidene-2-(prop-2-enylamino)ethyl]sulfanyl-3-phenethyl-quinazoline-7-carboxylate Openeye Name: methyl 2-[2-(allylamino)-2-oxo-ethyl]sulfanyl-4-oxo-3-phenethyl-quinazoline-7-carboxylate CAS Name: 4-oxo-2-[[2-oxo-2-(prop-2-enylamino)ethyl]thio]-3-phenethyl-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 4-oxo-2-[2-oxo-2-(prop-2-enylamino)ethyl]sulfanyl-3-phenethylquinazoline-7-carboxylate Traditional Name: 2-[[2-(allylamino)-2-keto-ethyl]thio]-4-keto-3-phenethyl-quinazoline-7-carboxylic acid methyl ester Formula: C23H23N3O4S MolecularWeight: 437.51142

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCC(=O)NCC=C)CCC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCC(=O)NCC=C)CCC3=CC=CC=C3

InChI

InChI=1S/C23H23N3O4S/c1-3-12-24-20(27)15-31-23-25-19-14-17(22(29)30-2)9-10-18(19)21(28)26(23)13-11-16-7-5-4-6-8-16/h3-10,14H,1,11-13,15H2,2H3,(H,24,27)