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

Systemtic Name: ethyl 3-methyl-5-[[1-(phenylsulfonyl)piperidin-3-yl]carbonylamino]-4-thiocyanato-thiophene-2-carboxylate Openeye Name: ethyl 5-[[1-(benzenesulfonyl)piperidine-3-carbonyl]amino]-3-methyl-4-thiocyanato-thiophene-2-carboxylate CAS Name: 5-[[[1-(benzenesulfonyl)-3-piperidinyl]-oxomethyl]amino]-3-methyl-4-thiocyanato-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[[1-(benzenesulfonyl)piperidine-3-carbonyl]amino]-3-methyl-4-thiocyanatothiophene-2-carboxylate Traditional Name: 5-[(1-besylnipecotoyl)amino]-3-methyl-4-thiocyanato-thiophene-2-carboxylic acid ethyl ester Formula: C21H23N3O5S3 MolecularWeight: 493.61942

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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=CC=C3)SC#N)C

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O5S3/c1-3-29-21(26)18-14(2)17(30-13-22)20(31-18)23-19(25)15-8-7-11-24(12-15)32(27,28)16-9-5-4-6-10-16/h4-6,9-10,15H,3,7-8,11-12H2,1-2H3,(H,23,25)