ethyl 5-(4-methoxyphenyl)-3-[(3-methylsulfonylphenyl)carbonylamino]thiophene-2-carboxylate

Systemtic Name: ethyl 5-(4-methoxyphenyl)-3-[(3-methylsulfonylphenyl)carbonylamino]thiophene-2-carboxylate Openeye Name: ethyl 5-(4-methoxyphenyl)-3-[(3-methylsulfonylbenzoyl)amino]thiophene-2-carboxylate CAS Name: 5-(4-methoxyphenyl)-3-[[(3-methylsulfonylphenyl)-oxomethyl]amino]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-(4-methoxyphenyl)-3-[(3-methylsulfonylbenzoyl)amino]thiophene-2-carboxylate Traditional Name: 3-[(3-mesylbenzoyl)amino]-5-(4-methoxyphenyl)thiophene-2-carboxylic acid ethyl ester Formula: C22H21NO6S2 MolecularWeight: 459.53524

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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)C3=CC(=CC=C3)S(=O)(=O)C

Isomeric SMILES

CCOC(=O)C1=C(C=C(S1)C2=CC=C(C=C2)OC)NC(=O)C3=CC(=CC=C3)S(=O)(=O)C

InChI

InChI=1S/C22H21NO6S2/c1-4-29-22(25)20-18(13-19(30-20)14-8-10-16(28-2)11-9-14)23-21(24)15-6-5-7-17(12-15)31(3,26)27/h5-13H,4H2,1-3H3,(H,23,24)