ethyl 2-[1-(1-benzothiophen-5-ylmethoxy)-3-bromanyl-3-methyl-1-oxidanylidene-2-[pentanoyl-(phenylmethyl)amino]butan-2-yl]benzoate

Systemtic Name: ethyl 2-[1-(1-benzothiophen-5-ylmethoxy)-3-bromanyl-3-methyl-1-oxidanylidene-2-[pentanoyl-(phenylmethyl)amino]butan-2-yl]benzoate Openeye Name: ethyl 2-[1-(benzothiophen-5-ylmethoxycarbonyl)-1-[benzyl(pentanoyl)amino]-2-bromo-2-methyl-propyl]benzoate CAS Name: 2-[1-(1-benzothiophen-5-ylmethoxy)-3-bromo-3-methyl-1-oxo-2-[1-oxopentyl-(phenylmethyl)amino]butan-2-yl]benzoic acid ethyl ester IUPAC Name: ethyl 2-[1-(1-benzothiophen-5-ylmethoxy)-2-[benzyl(pentanoyl)amino]-3-bromo-3-methyl-1-oxobutan-2-yl]benzoate Traditional Name: 2-[1-(benzothiophen-5-ylmethoxycarbonyl)-1-[benzyl(valeryl)amino]-2-bromo-2-methyl-propyl]benzoic acid ethyl ester Formula: C35H38BrNO5S MolecularWeight: 664.64892

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)N(CC1=CC=CC=C1)C(C2=CC=CC=C2C(=O)OCC)(C(=O)OCC3=CC4=C(C=C3)SC=C4)C(C)(C)Br

Isomeric SMILES

CCCCC(=O)N(CC1=CC=CC=C1)C(C2=CC=CC=C2C(=O)OCC)(C(=O)OCC3=CC4=C(C=C3)SC=C4)C(C)(C)Br

InChI

InChI=1S/C35H38BrNO5S/c1-5-7-17-31(38)37(23-25-13-9-8-10-14-25)35(34(3,4)36,29-16-12-11-15-28(29)32(39)41-6-2)33(40)42-24-26-18-19-30-27(22-26)20-21-43-30/h8-16,18-22H,5-7,17,23-24H2,1-4H3