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

Systemtic Name: ethyl 5-[[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]carbonylamino]-3-methyl-4-thiocyanato-thiophene-2-carboxylate Openeye Name: ethyl 5-[[1-(4-methoxyphenyl)sulfonylpiperidine-4-carbonyl]amino]-3-methyl-4-thiocyanato-thiophene-2-carboxylate CAS Name: 5-[[[1-(4-methoxyphenyl)sulfonyl-4-piperidinyl]-oxomethyl]amino]-3-methyl-4-thiocyanato-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[[1-(4-methoxyphenyl)sulfonylpiperidine-4-carbonyl]amino]-3-methyl-4-thiocyanatothiophene-2-carboxylate Traditional Name: 5-[[1-(4-methoxyphenyl)sulfonylisonipecotoyl]amino]-3-methyl-4-thiocyanato-thiophene-2-carboxylic acid ethyl ester Formula: C22H25N3O6S3 MolecularWeight: 523.6454

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)OC)SC#N)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)OC)SC#N)C

InChI

InChI=1S/C22H25N3O6S3/c1-4-31-22(27)19-14(2)18(32-13-23)21(33-19)24-20(26)15-9-11-25(12-10-15)34(28,29)17-7-5-16(30-3)6-8-17/h5-8,15H,4,9-12H2,1-3H3,(H,24,26)