ethyl 2-[2-[(3-fluoranyl-4-methoxy-phenyl)methyl-methyl-amino]ethanoylamino]-4-methyl-5-(methylcarbamoyl)thiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-[(3-fluoranyl-4-methoxy-phenyl)methyl-methyl-amino]ethanoylamino]-4-methyl-5-(methylcarbamoyl)thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-[(3-fluoro-4-methoxy-phenyl)methyl-methyl-amino]acetyl]amino]-4-methyl-5-(methylcarbamoyl)thiophene-3-carboxylate CAS Name: 2-[[2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-1-oxoethyl]amino]-4-methyl-5-(methylcarbamoyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]acetyl]amino]-4-methyl-5-(methylcarbamoyl)thiophene-3-carboxylate Traditional Name: 2-[[2-[(3-fluoro-4-methoxy-benzyl)-methyl-amino]acetyl]amino]-4-methyl-5-(methylcarbamoyl)thiophene-3-carboxylic acid ethyl ester Formula: C21H26FN3O5S MolecularWeight: 451.511643

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)NC)NC(=O)CN(C)CC2=CC(=C(C=C2)OC)F

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)NC)NC(=O)CN(C)CC2=CC(=C(C=C2)OC)F

InChI

InChI=1S/C21H26FN3O5S/c1-6-30-21(28)17-12(2)18(19(27)23-3)31-20(17)24-16(26)11-25(4)10-13-7-8-15(29-5)14(22)9-13/h7-9H,6,10-11H2,1-5H3,(H,23,27)(H,24,26)