ethyl 2-benzamido-6-bromanyl-7-(2-piperidin-1-ylethoxy)-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-benzamido-6-bromanyl-7-(2-piperidin-1-ylethoxy)-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-benzamido-6-bromo-7-[2-(1-piperidyl)ethoxy]benzothiophene-3-carboxylate CAS Name: 2-benzamido-6-bromo-7-[2-(1-piperidinyl)ethoxy]-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-benzamido-6-bromo-7-(2-piperidin-1-ylethoxy)-1-benzothiophene-3-carboxylate Traditional Name: 2-benzamido-6-bromo-7-(2-piperidinoethoxy)benzothiophene-3-carboxylic acid ethyl ester Formula: C25H27BrN2O4S MolecularWeight: 531.46188

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1C=CC(=C2OCCN3CCCCC3)Br)NC(=O)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1C=CC(=C2OCCN3CCCCC3)Br)NC(=O)C4=CC=CC=C4

InChI

InChI=1S/C25H27BrN2O4S/c1-2-31-25(30)20-18-11-12-19(26)21(32-16-15-28-13-7-4-8-14-28)22(18)33-24(20)27-23(29)17-9-5-3-6-10-17/h3,5-6,9-12H,2,4,7-8,13-16H2,1H3,(H,27,29)