dimethyl 2-[(6-bromanyl-1,3-benzodioxol-5-yl)methyl]-9-methoxy-8-oxidanyl-1-thiophen-2-yl-1H-2-benzazocine-4,5-dicarboxylate

Systemtic Name: dimethyl 2-[(6-bromanyl-1,3-benzodioxol-5-yl)methyl]-9-methoxy-8-oxidanyl-1-thiophen-2-yl-1H-2-benzazocine-4,5-dicarboxylate Openeye Name: dimethyl 2-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-8-hydroxy-9-methoxy-1-(2-thienyl)-1H-2-benzazocine-4,5-dicarboxylate CAS Name: 2-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-8-hydroxy-9-methoxy-1-thiophen-2-yl-1H-2-benzazocine-4,5-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-8-hydroxy-9-methoxy-1-thiophen-2-yl-1H-2-benzazocine-4,5-dicarboxylate Traditional Name: 2-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-8-hydroxy-9-methoxy-1-(2-thienyl)-1H-2-benzazocine-4,5-dicarboxylic acid dimethyl ester Formula: C28H24BrNO8S MolecularWeight: 614.46106

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C=C(C(=CN(C(C2=C1)C3=CC=CS3)CC4=CC5=C(C=C4Br)OCO5)C(=O)OC)C(=O)OC)O

Isomeric SMILES

COC1=C(C=C2C=C(C(=CN(C(C2=C1)C3=CC=CS3)CC4=CC5=C(C=C4Br)OCO5)C(=O)OC)C(=O)OC)O

InChI

InChI=1S/C28H24BrNO8S/c1-34-22-10-17-15(8-21(22)31)7-18(27(32)35-2)19(28(33)36-3)13-30(26(17)25-5-4-6-39-25)12-16-9-23-24(11-20(16)29)38-14-37-23/h4-11,13,26,31H,12,14H2,1-3H3