methyl 3-(1,3-benzodioxol-5-ylmethyl)-2-[2-(4-bromophenyl)-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-quinazoline-7-carboxylate

Systemtic Name: methyl 3-(1,3-benzodioxol-5-ylmethyl)-2-[2-(4-bromophenyl)-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-quinazoline-7-carboxylate Openeye Name: methyl 3-(1,3-benzodioxol-5-ylmethyl)-2-[2-(4-bromophenyl)-2-oxo-ethyl]sulfanyl-4-oxo-quinazoline-7-carboxylate CAS Name: 3-(1,3-benzodioxol-5-ylmethyl)-2-[[2-(4-bromophenyl)-2-oxoethyl]thio]-4-oxo-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 3-(1,3-benzodioxol-5-ylmethyl)-2-[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-4-oxoquinazoline-7-carboxylate Traditional Name: 2-[[2-(4-bromophenyl)-2-keto-ethyl]thio]-4-keto-3-piperonyl-quinazoline-7-carboxylic acid methyl ester Formula: C26H19BrN2O6S MolecularWeight: 567.40786

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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)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCC(=O)C3=CC=C(C=C3)Br)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C26H19BrN2O6S/c1-33-25(32)17-5-8-19-20(11-17)28-26(36-13-21(30)16-3-6-18(27)7-4-16)29(24(19)31)12-15-2-9-22-23(10-15)35-14-34-22/h2-11H,12-14H2,1H3