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

Systemtic Name: ethyl 5-[2-(4-chlorophenyl)sulfonylethanoylamino]-3-methyl-4-thiocyanato-thiophene-2-carboxylate Openeye Name: ethyl 5-[[2-(4-chlorophenyl)sulfonylacetyl]amino]-3-methyl-4-thiocyanato-thiophene-2-carboxylate CAS Name: 5-[[2-(4-chlorophenyl)sulfonyl-1-oxoethyl]amino]-3-methyl-4-thiocyanato-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[[2-(4-chlorophenyl)sulfonylacetyl]amino]-3-methyl-4-thiocyanatothiophene-2-carboxylate Traditional Name: 5-[[2-(4-chlorophenyl)sulfonylacetyl]amino]-3-methyl-4-thiocyanato-thiophene-2-carboxylic acid ethyl ester Formula: C17H15ClN2O5S3 MolecularWeight: 458.9594

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15ClN2O5S3/c1-3-25-17(22)15-10(2)14(26-9-19)16(27-15)20-13(21)8-28(23,24)12-6-4-11(18)5-7-12/h4-7H,3,8H2,1-2H3,(H,20,21)