methyl 5-[2-[methylsulfonyl(phenethyl)amino]ethanoylamino]-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 5-[2-[methylsulfonyl(phenethyl)amino]ethanoylamino]-1-benzothiophene-2-carboxylate Openeye Name: methyl 5-[[2-[methylsulfonyl(phenethyl)amino]acetyl]amino]benzothiophene-2-carboxylate CAS Name: 5-[[2-[methylsulfonyl(phenethyl)amino]-1-oxoethyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 5-[[2-[methylsulfonyl(phenethyl)amino]acetyl]amino]-1-benzothiophene-2-carboxylate Traditional Name: 5-[[2-[mesyl(phenethyl)amino]acetyl]amino]benzothiophene-2-carboxylic acid methyl ester Formula: C21H22N2O5S2 MolecularWeight: 446.53978

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(S1)C=CC(=C2)NC(=O)CN(CCC3=CC=CC=C3)S(=O)(=O)C

Isomeric SMILES

COC(=O)C1=CC2=C(S1)C=CC(=C2)NC(=O)CN(CCC3=CC=CC=C3)S(=O)(=O)C

InChI

InChI=1S/C21H22N2O5S2/c1-28-21(25)19-13-16-12-17(8-9-18(16)29-19)22-20(24)14-23(30(2,26)27)11-10-15-6-4-3-5-7-15/h3-9,12-13H,10-11,14H2,1-2H3,(H,22,24)