ethyl 5-azanyl-4-cyano-3-[4-(1H-indol-3-yl)butanoyloxymethyl]thiophene-2-carboxylate

Systemtic Name: ethyl 5-azanyl-4-cyano-3-[4-(1H-indol-3-yl)butanoyloxymethyl]thiophene-2-carboxylate Openeye Name: ethyl 5-amino-4-cyano-3-[4-(1H-indol-3-yl)butanoyloxymethyl]thiophene-2-carboxylate CAS Name: 5-amino-4-cyano-3-[[4-(1H-indol-3-yl)-1-oxobutoxy]methyl]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-4-cyano-3-[4-(1H-indol-3-yl)butanoyloxymethyl]thiophene-2-carboxylate Traditional Name: 5-amino-4-cyano-3-[4-(1H-indol-3-yl)butanoyloxymethyl]thiophene-2-carboxylic acid ethyl ester Formula: C21H21N3O4S MolecularWeight: 411.47414

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)N)C#N)COC(=O)CCCC2=CNC3=CC=CC=C32

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)N)C#N)COC(=O)CCCC2=CNC3=CC=CC=C32

InChI

InChI=1S/C21H21N3O4S/c1-2-27-21(26)19-16(15(10-22)20(23)29-19)12-28-18(25)9-5-6-13-11-24-17-8-4-3-7-14(13)17/h3-4,7-8,11,24H,2,5-6,9,12,23H2,1H3