ethyl 3-methyl-5-[[1-(4-methylphenyl)sulfonylpiperidin-3-yl]carbonylamino]-4-thiocyanato-thiophene-2-carboxylate

Systemtic Name: ethyl 3-methyl-5-[[1-(4-methylphenyl)sulfonylpiperidin-3-yl]carbonylamino]-4-thiocyanato-thiophene-2-carboxylate Openeye Name: ethyl 3-methyl-5-[[1-(p-tolylsulfonyl)piperidine-3-carbonyl]amino]-4-thiocyanato-thiophene-2-carboxylate CAS Name: 3-methyl-5-[[[1-(4-methylphenyl)sulfonyl-3-piperidinyl]-oxomethyl]amino]-4-thiocyanato-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 3-methyl-5-[[1-(4-methylphenyl)sulfonylpiperidine-3-carbonyl]amino]-4-thiocyanatothiophene-2-carboxylate Traditional Name: 3-methyl-4-thiocyanato-5-[(1-tosylnipecotoyl)amino]thiophene-2-carboxylic acid ethyl ester Formula: C22H25N3O5S3 MolecularWeight: 507.646

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)NC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=C(C=C3)C)SC#N)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)NC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=C(C=C3)C)SC#N)C

InChI

InChI=1S/C22H25N3O5S3/c1-4-30-22(27)19-15(3)18(31-13-23)21(32-19)24-20(26)16-6-5-11-25(12-16)33(28,29)17-9-7-14(2)8-10-17/h7-10,16H,4-6,11-12H2,1-3H3,(H,24,26)