ethyl 3-methyl-5-[2-(4-propan-2-ylsulfonylphenyl)ethanoylamino]-4-thiocyanato-thiophene-2-carboxylate

Systemtic Name: ethyl 3-methyl-5-[2-(4-propan-2-ylsulfonylphenyl)ethanoylamino]-4-thiocyanato-thiophene-2-carboxylate Openeye Name: ethyl 5-[[2-(4-isopropylsulfonylphenyl)acetyl]amino]-3-methyl-4-thiocyanato-thiophene-2-carboxylate CAS Name: 3-methyl-5-[[1-oxo-2-(4-propan-2-ylsulfonylphenyl)ethyl]amino]-4-thiocyanato-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 3-methyl-5-[[2-(4-propan-2-ylsulfonylphenyl)acetyl]amino]-4-thiocyanatothiophene-2-carboxylate Traditional Name: 5-[[2-(4-isopropylsulfonylphenyl)acetyl]amino]-3-methyl-4-thiocyanato-thiophene-2-carboxylic acid ethyl ester Formula: C20H22N2O5S3 MolecularWeight: 466.59408

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)NC(=O)CC2=CC=C(C=C2)S(=O)(=O)C(C)C)SC#N)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)NC(=O)CC2=CC=C(C=C2)S(=O)(=O)C(C)C)SC#N)C

InChI

InChI=1S/C20H22N2O5S3/c1-5-27-20(24)18-13(4)17(28-11-21)19(29-18)22-16(23)10-14-6-8-15(9-7-14)30(25,26)12(2)3/h6-9,12H,5,10H2,1-4H3,(H,22,23)