methyl 4-propan-2-ylsulfonyl-3-pyrrol-1-yl-thiophene-2-carboxylate

Systemtic Name: methyl 4-propan-2-ylsulfonyl-3-pyrrol-1-yl-thiophene-2-carboxylate Openeye Name: methyl 4-isopropylsulfonyl-3-pyrrol-1-yl-thiophene-2-carboxylate CAS Name: 4-propan-2-ylsulfonyl-3-(1-pyrrolyl)-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-propan-2-ylsulfonyl-3-pyrrol-1-ylthiophene-2-carboxylate Traditional Name: 4-isopropylsulfonyl-3-pyrrol-1-yl-thiophene-2-carboxylic acid methyl ester Formula: C13H15NO4S2 MolecularWeight: 313.3925

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)C1=CSC(=C1N2C=CC=C2)C(=O)OC

Isomeric SMILES

CC(C)S(=O)(=O)C1=CSC(=C1N2C=CC=C2)C(=O)OC

InChI

InChI=1S/C13H15NO4S2/c1-9(2)20(16,17)10-8-19-12(13(15)18-3)11(10)14-6-4-5-7-14/h4-9H,1-3H3