methyl (2E)-4-[(4-methylphenyl)sulfonylmethylamino]-4-oxidanylidene-2-(thiophen-2-ylmethylidene)butanoate

Systemtic Name: methyl (2E)-4-[(4-methylphenyl)sulfonylmethylamino]-4-oxidanylidene-2-(thiophen-2-ylmethylidene)butanoate Openeye Name: methyl (2E)-4-oxo-4-(p-tolylsulfonylmethylamino)-2-(2-thienylmethylene)butanoate CAS Name: (2E)-4-[(4-methylphenyl)sulfonylmethylamino]-4-oxo-2-(thiophen-2-ylmethylidene)butanoic acid methyl ester IUPAC Name: methyl (2E)-4-[(4-methylphenyl)sulfonylmethylamino]-4-oxo-2-(thiophen-2-ylmethylidene)butanoate Traditional Name: (E)-2-[2-keto-2-(tosylmethylamino)ethyl]-3-(2-thienyl)acrylic acid methyl ester Formula: C18H19NO5S2 MolecularWeight: 393.47716

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CNC(=O)CC(=CC2=CC=CS2)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CNC(=O)C/C(=C\C2=CC=CS2)/C(=O)OC

InChI

InChI=1S/C18H19NO5S2/c1-13-5-7-16(8-6-13)26(22,23)12-19-17(20)11-14(18(21)24-2)10-15-4-3-9-25-15/h3-10H,11-12H2,1-2H3,(H,19,20)/b14-10+