methyl 3-[(3-methylsulfonylphenyl)carbonylamino]-5-phenyl-thiophene-2-carboxylate

Systemtic Name: methyl 3-[(3-methylsulfonylphenyl)carbonylamino]-5-phenyl-thiophene-2-carboxylate Openeye Name: methyl 3-[(3-methylsulfonylbenzoyl)amino]-5-phenyl-thiophene-2-carboxylate CAS Name: 3-[[(3-methylsulfonylphenyl)-oxomethyl]amino]-5-phenyl-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[(3-methylsulfonylbenzoyl)amino]-5-phenylthiophene-2-carboxylate Traditional Name: 3-[(3-mesylbenzoyl)amino]-5-phenyl-thiophene-2-carboxylic acid methyl ester Formula: C20H17NO5S2 MolecularWeight: 415.48268

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H17NO5S2/c1-26-20(23)18-16(12-17(27-18)13-7-4-3-5-8-13)21-19(22)14-9-6-10-15(11-14)28(2,24)25/h3-12H,1-2H3,(H,21,22)