methyl 2-[2-(2-bromanyl-4-propyl-phenoxy)ethanoylamino]-4-thiophen-2-yl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[2-(2-bromanyl-4-propyl-phenoxy)ethanoylamino]-4-thiophen-2-yl-thiophene-3-carboxylate Openeye Name: methyl 2-[[2-(2-bromo-4-propyl-phenoxy)acetyl]amino]-4-(2-thienyl)thiophene-3-carboxylate CAS Name: 2-[[2-(2-bromo-4-propylphenoxy)-1-oxoethyl]amino]-4-thiophen-2-yl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[2-(2-bromo-4-propylphenoxy)acetyl]amino]-4-thiophen-2-ylthiophene-3-carboxylate Traditional Name: 2-[[2-(2-bromo-4-propyl-phenoxy)acetyl]amino]-4-(2-thienyl)thiophene-3-carboxylic acid methyl ester Formula: C21H20BrNO4S2 MolecularWeight: 494.4218

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=C(C=C1)OCC(=O)NC2=C(C(=CS2)C3=CC=CS3)C(=O)OC)Br

Isomeric SMILES

CCCC1=CC(=C(C=C1)OCC(=O)NC2=C(C(=CS2)C3=CC=CS3)C(=O)OC)Br

InChI

InChI=1S/C21H20BrNO4S2/c1-3-5-13-7-8-16(15(22)10-13)27-11-18(24)23-20-19(21(25)26-2)14(12-29-20)17-6-4-9-28-17/h4,6-10,12H,3,5,11H2,1-2H3,(H,23,24)