ethyl 4-methyl-5-[(E)-3-(methylsulfonyloxymethyl)-4-(phenylmethoxycarbonylamino)but-1-enyl]thiophene-2-carboxylate

Systemtic Name: ethyl 4-methyl-5-[(E)-3-(methylsulfonyloxymethyl)-4-(phenylmethoxycarbonylamino)but-1-enyl]thiophene-2-carboxylate Openeye Name: ethyl 5-[(E)-3-(benzyloxycarbonylaminomethyl)-4-methylsulfonyloxy-but-1-enyl]-4-methyl-thiophene-2-carboxylate CAS Name: 4-methyl-5-[(E)-3-(methylsulfonyloxymethyl)-4-(phenylmethoxycarbonylamino)but-1-enyl]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-methyl-5-[(E)-3-(methylsulfonyloxymethyl)-4-(phenylmethoxycarbonylamino)but-1-enyl]thiophene-2-carboxylate Traditional Name: 5-[(E)-3-(benzyloxycarbonylaminomethyl)-4-methylsulfonyloxy-but-1-enyl]-4-methyl-thiophene-2-carboxylic acid ethyl ester Formula: C22H27NO7S2 MolecularWeight: 481.58228

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(S1)C=CC(CNC(=O)OCC2=CC=CC=C2)COS(=O)(=O)C)C

Isomeric SMILES

CCOC(=O)C1=CC(=C(S1)/C=C/C(CNC(=O)OCC2=CC=CC=C2)COS(=O)(=O)C)C

InChI

InChI=1S/C22H27NO7S2/c1-4-28-21(24)20-12-16(2)19(31-20)11-10-18(15-30-32(3,26)27)13-23-22(25)29-14-17-8-6-5-7-9-17/h5-12,18H,4,13-15H2,1-3H3,(H,23,25)/b11-10+