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

Systemtic Name: ethyl 5-(4-methoxyphenyl)-3-[(1-methylsulfonylpiperidin-4-yl)carbonylamino]thiophene-2-carboxylate Openeye Name: ethyl 5-(4-methoxyphenyl)-3-[(1-methylsulfonylpiperidine-4-carbonyl)amino]thiophene-2-carboxylate CAS Name: 5-(4-methoxyphenyl)-3-[[(1-methylsulfonyl-4-piperidinyl)-oxomethyl]amino]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-(4-methoxyphenyl)-3-[(1-methylsulfonylpiperidine-4-carbonyl)amino]thiophene-2-carboxylate Traditional Name: 3-[(1-mesylisonipecotoyl)amino]-5-(4-methoxyphenyl)thiophene-2-carboxylic acid ethyl ester Formula: C21H26N2O6S2 MolecularWeight: 466.57094

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=C(S1)C2=CC=C(C=C2)OC)NC(=O)C3CCN(CC3)S(=O)(=O)C

Isomeric SMILES

CCOC(=O)C1=C(C=C(S1)C2=CC=C(C=C2)OC)NC(=O)C3CCN(CC3)S(=O)(=O)C

InChI

InChI=1S/C21H26N2O6S2/c1-4-29-21(25)19-17(13-18(30-19)14-5-7-16(28-2)8-6-14)22-20(24)15-9-11-23(12-10-15)31(3,26)27/h5-8,13,15H,4,9-12H2,1-3H3,(H,22,24)