ethyl 3-methyl-5-[2-(phenylmethyl)sulfonylethanoylamino]-4-thiocyanato-thiophene-2-carboxylate

Systemtic Name: ethyl 3-methyl-5-[2-(phenylmethyl)sulfonylethanoylamino]-4-thiocyanato-thiophene-2-carboxylate Openeye Name: ethyl 5-[(2-benzylsulfonylacetyl)amino]-3-methyl-4-thiocyanato-thiophene-2-carboxylate CAS Name: 3-methyl-5-[[1-oxo-2-(phenylmethyl)sulfonylethyl]amino]-4-thiocyanato-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[(2-benzylsulfonylacetyl)amino]-3-methyl-4-thiocyanatothiophene-2-carboxylate Traditional Name: 5-[(2-benzylsulfonylacetyl)amino]-3-methyl-4-thiocyanato-thiophene-2-carboxylic acid ethyl ester Formula: C18H18N2O5S3 MolecularWeight: 438.54092

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N2O5S3/c1-3-25-18(22)16-12(2)15(26-11-19)17(27-16)20-14(21)10-28(23,24)9-13-7-5-4-6-8-13/h4-8H,3,9-10H2,1-2H3,(H,20,21)