dimethyl 5-azanyl-3-[(3-methylsulfonylphenyl)carbonyloxymethyl]thiophene-2,4-dicarboxylate

Systemtic Name: dimethyl 5-azanyl-3-[(3-methylsulfonylphenyl)carbonyloxymethyl]thiophene-2,4-dicarboxylate Openeye Name: dimethyl 5-amino-3-[(3-methylsulfonylbenzoyl)oxymethyl]thiophene-2,4-dicarboxylate CAS Name: 5-amino-3-[[(3-methylsulfonylphenyl)-oxomethoxy]methyl]thiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-amino-3-[(3-methylsulfonylbenzoyl)oxymethyl]thiophene-2,4-dicarboxylate Traditional Name: 5-amino-3-[(3-mesylbenzoyl)oxymethyl]thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C17H17NO8S2 MolecularWeight: 427.44878

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC(=C1COC(=O)C2=CC(=CC=C2)S(=O)(=O)C)C(=O)OC)N

Isomeric SMILES

COC(=O)C1=C(SC(=C1COC(=O)C2=CC(=CC=C2)S(=O)(=O)C)C(=O)OC)N

InChI

InChI=1S/C17H17NO8S2/c1-24-16(20)12-11(13(17(21)25-2)27-14(12)18)8-26-15(19)9-5-4-6-10(7-9)28(3,22)23/h4-7H,8,18H2,1-3H3