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

Systemtic Name: methyl 2-[2-(4-bromophenyl)-2-oxidanylidene-ethyl]sulfanyl-3-[2-(cyclohexen-1-yl)ethyl]-4-oxidanylidene-quinazoline-7-carboxylate Openeye Name: methyl 2-[2-(4-bromophenyl)-2-oxo-ethyl]sulfanyl-3-[2-(cyclohexen-1-yl)ethyl]-4-oxo-quinazoline-7-carboxylate CAS Name: 2-[[2-(4-bromophenyl)-2-oxoethyl]thio]-3-[2-(1-cyclohexenyl)ethyl]-4-oxo-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 2-[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-3-[2-(cyclohexen-1-yl)ethyl]-4-oxoquinazoline-7-carboxylate Traditional Name: 2-[[2-(4-bromophenyl)-2-keto-ethyl]thio]-3-[2-(cyclohexen-1-yl)ethyl]-4-keto-quinazoline-7-carboxylic acid methyl ester Formula: C26H25BrN2O4S MolecularWeight: 541.4567

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H25BrN2O4S/c1-33-25(32)19-9-12-21-22(15-19)28-26(34-16-23(30)18-7-10-20(27)11-8-18)29(24(21)31)14-13-17-5-3-2-4-6-17/h5,7-12,15H,2-4,6,13-14,16H2,1H3