ethyl 2-[2-(5-bromanyl-3-methanoyl-indol-1-yl)ethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-(5-bromanyl-3-methanoyl-indol-1-yl)ethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(5-bromo-3-formyl-indol-1-yl)acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[2-(5-bromo-3-formyl-1-indolyl)-1-oxoethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(5-bromo-3-formylindol-1-yl)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[2-(5-bromo-3-formyl-indol-1-yl)acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C22H21BrN2O4S MolecularWeight: 489.38214

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)CN3C=C(C4=C3C=CC(=C4)Br)C=O

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)CN3C=C(C4=C3C=CC(=C4)Br)C=O

InChI

InChI=1S/C22H21BrN2O4S/c1-2-29-22(28)20-15-5-3-4-6-18(15)30-21(20)24-19(27)11-25-10-13(12-26)16-9-14(23)7-8-17(16)25/h7-10,12H,2-6,11H2,1H3,(H,24,27)