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

Systemtic Name: ethyl 5-[[1-(5-chloranylthiophen-2-yl)sulfonylpiperidin-2-yl]carbonylamino]-3-methyl-4-thiocyanato-thiophene-2-carboxylate Openeye Name: ethyl 5-[[1-[(5-chloro-2-thienyl)sulfonyl]piperidine-2-carbonyl]amino]-3-methyl-4-thiocyanato-thiophene-2-carboxylate CAS Name: 5-[[[1-[(5-chloro-2-thiophenyl)sulfonyl]-2-piperidinyl]-oxomethyl]amino]-3-methyl-4-thiocyanato-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[[1-(5-chlorothiophen-2-yl)sulfonylpiperidine-2-carbonyl]amino]-3-methyl-4-thiocyanatothiophene-2-carboxylate Traditional Name: 5-[[1-[(5-chloro-2-thienyl)sulfonyl]pipecoloyl]amino]-3-methyl-4-thiocyanato-thiophene-2-carboxylic acid ethyl ester Formula: C19H20ClN3O5S4 MolecularWeight: 534.0922

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)NC(=O)C2CCCCN2S(=O)(=O)C3=CC=C(S3)Cl)SC#N)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)NC(=O)C2CCCCN2S(=O)(=O)C3=CC=C(S3)Cl)SC#N)C

InChI

InChI=1S/C19H20ClN3O5S4/c1-3-28-19(25)16-11(2)15(29-10-21)18(31-16)22-17(24)12-6-4-5-9-23(12)32(26,27)14-8-7-13(20)30-14/h7-8,12H,3-6,9H2,1-2H3,(H,22,24)