2-methoxyethyl 5-aminocarbonyl-4-methyl-2-[2-[[3-(2-phenylethynyl)phenyl]amino]ethanoylamino]thiophene-3-carboxylate

Systemtic Name: 2-methoxyethyl 5-aminocarbonyl-4-methyl-2-[2-[[3-(2-phenylethynyl)phenyl]amino]ethanoylamino]thiophene-3-carboxylate Openeye Name: 2-methoxyethyl 5-carbamoyl-4-methyl-2-[[2-[3-(2-phenylethynyl)anilino]acetyl]amino]thiophene-3-carboxylate CAS Name: 5-carbamoyl-4-methyl-2-[[1-oxo-2-[3-(2-phenylethynyl)anilino]ethyl]amino]-3-thiophenecarboxylic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl 5-carbamoyl-4-methyl-2-[[2-[3-(2-phenylethynyl)anilino]acetyl]amino]thiophene-3-carboxylate Traditional Name: 5-carbamoyl-4-methyl-2-[[2-[3-(2-phenylethynyl)anilino]acetyl]amino]thiophene-3-carboxylic acid 2-methoxyethyl ester Formula: C26H25N3O5S MolecularWeight: 491.5588

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OCCOC)NC(=O)CNC2=CC=CC(=C2)C#CC3=CC=CC=C3)C(=O)N

Isomeric SMILES

CC1=C(SC(=C1C(=O)OCCOC)NC(=O)CNC2=CC=CC(=C2)C#CC3=CC=CC=C3)C(=O)N

InChI

InChI=1S/C26H25N3O5S/c1-17-22(26(32)34-14-13-33-2)25(35-23(17)24(27)31)29-21(30)16-28-20-10-6-9-19(15-20)12-11-18-7-4-3-5-8-18/h3-10,15,28H,13-14,16H2,1-2H3,(H2,27,31)(H,29,30)