methyl 3-[2-(cyclohexen-1-yl)ethyl]-4-oxidanylidene-2-[2-oxidanylidene-2-(phenethylamino)ethyl]sulfanyl-quinazoline-7-carboxylate

Systemtic Name: methyl 3-[2-(cyclohexen-1-yl)ethyl]-4-oxidanylidene-2-[2-oxidanylidene-2-(phenethylamino)ethyl]sulfanyl-quinazoline-7-carboxylate Openeye Name: methyl 3-[2-(cyclohexen-1-yl)ethyl]-4-oxo-2-[2-oxo-2-(phenethylamino)ethyl]sulfanyl-quinazoline-7-carboxylate CAS Name: 3-[2-(1-cyclohexenyl)ethyl]-4-oxo-2-[[2-oxo-2-(phenethylamino)ethyl]thio]-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 3-[2-(cyclohexen-1-yl)ethyl]-4-oxo-2-[2-oxo-2-(phenethylamino)ethyl]sulfanylquinazoline-7-carboxylate Traditional Name: 3-[2-(cyclohexen-1-yl)ethyl]-4-keto-2-[[2-keto-2-(phenethylamino)ethyl]thio]quinazoline-7-carboxylic acid methyl ester Formula: C28H31N3O4S MolecularWeight: 505.62844

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCC(=O)NCCC3=CC=CC=C3)CCC4=CCCCC4

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCC(=O)NCCC3=CC=CC=C3)CCC4=CCCCC4

InChI

InChI=1S/C28H31N3O4S/c1-35-27(34)22-12-13-23-24(18-22)30-28(31(26(23)33)17-15-21-10-6-3-7-11-21)36-19-25(32)29-16-14-20-8-4-2-5-9-20/h2,4-5,8-10,12-13,18H,3,6-7,11,14-17,19H2,1H3,(H,29,32)