ethyl 2-acetamido-7-[2-[bis(phenylmethyl)amino]ethoxy]-6-bromanyl-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-acetamido-7-[2-[bis(phenylmethyl)amino]ethoxy]-6-bromanyl-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-acetamido-6-bromo-7-[2-(dibenzylamino)ethoxy]benzothiophene-3-carboxylate CAS Name: 2-acetamido-7-[2-[bis(phenylmethyl)amino]ethoxy]-6-bromo-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-acetamido-6-bromo-7-[2-(dibenzylamino)ethoxy]-1-benzothiophene-3-carboxylate Traditional Name: 2-acetamido-6-bromo-7-[2-(dibenzylamino)ethoxy]benzothiophene-3-carboxylic acid ethyl ester Formula: C29H29BrN2O4S MolecularWeight: 581.52056

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1C=CC(=C2OCCN(CC3=CC=CC=C3)CC4=CC=CC=C4)Br)NC(=O)C

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1C=CC(=C2OCCN(CC3=CC=CC=C3)CC4=CC=CC=C4)Br)NC(=O)C

InChI

InChI=1S/C29H29BrN2O4S/c1-3-35-29(34)25-23-14-15-24(30)26(27(23)37-28(25)31-20(2)33)36-17-16-32(18-21-10-6-4-7-11-21)19-22-12-8-5-9-13-22/h4-15H,3,16-19H2,1-2H3,(H,31,33)