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

Systemtic Name: ethyl 4-cyano-5-[2-(3-methanoylindol-1-yl)ethanoylamino]-3-methyl-thiophene-2-carboxylate Openeye Name: ethyl 4-cyano-5-[[2-(3-formylindol-1-yl)acetyl]amino]-3-methyl-thiophene-2-carboxylate CAS Name: 4-cyano-5-[[2-(3-formyl-1-indolyl)-1-oxoethyl]amino]-3-methyl-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-cyano-5-[[2-(3-formylindol-1-yl)acetyl]amino]-3-methylthiophene-2-carboxylate Traditional Name: 4-cyano-5-[[2-(3-formylindol-1-yl)acetyl]amino]-3-methyl-thiophene-2-carboxylic acid ethyl ester Formula: C20H17N3O4S MolecularWeight: 395.43168

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)NC(=O)CN2C=C(C3=CC=CC=C32)C=O)C#N)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)NC(=O)CN2C=C(C3=CC=CC=C32)C=O)C#N)C

InChI

InChI=1S/C20H17N3O4S/c1-3-27-20(26)18-12(2)15(8-21)19(28-18)22-17(25)10-23-9-13(11-24)14-6-4-5-7-16(14)23/h4-7,9,11H,3,10H2,1-2H3,(H,22,25)