ethyl 5-ethanoyl-2-[2-(3-methanoylindol-1-yl)ethanoylamino]-4-methyl-thiophene-3-carboxylate

Systemtic Name: ethyl 5-ethanoyl-2-[2-(3-methanoylindol-1-yl)ethanoylamino]-4-methyl-thiophene-3-carboxylate Openeye Name: ethyl 5-acetyl-2-[[2-(3-formylindol-1-yl)acetyl]amino]-4-methyl-thiophene-3-carboxylate CAS Name: 5-acetyl-2-[[2-(3-formyl-1-indolyl)-1-oxoethyl]amino]-4-methyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-acetyl-2-[[2-(3-formylindol-1-yl)acetyl]amino]-4-methylthiophene-3-carboxylate Traditional Name: 5-acetyl-2-[[2-(3-formylindol-1-yl)acetyl]amino]-4-methyl-thiophene-3-carboxylic acid ethyl ester Formula: C21H20N2O5S MolecularWeight: 412.4589

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)C)NC(=O)CN2C=C(C3=CC=CC=C32)C=O

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)C)NC(=O)CN2C=C(C3=CC=CC=C32)C=O

InChI

InChI=1S/C21H20N2O5S/c1-4-28-21(27)18-12(2)19(13(3)25)29-20(18)22-17(26)10-23-9-14(11-24)15-7-5-6-8-16(15)23/h5-9,11H,4,10H2,1-3H3,(H,22,26)