O4-ethyl O2-prop-2-enyl 3-methyl-5-[2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)ethanoylamino]thiophene-2,4-dicarboxylate

Systemtic Name: O4-ethyl O2-prop-2-enyl 3-methyl-5-[2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)ethanoylamino]thiophene-2,4-dicarboxylate Openeye Name: O2-allyl O4-ethyl 3-methyl-5-[[2-[4-(2-naphthylsulfonyl)piperazin-1-yl]acetyl]amino]thiophene-2,4-dicarboxylate CAS Name: 3-methyl-5-[[2-[4-(2-naphthalenylsulfonyl)-1-piperazinyl]-1-oxoethyl]amino]thiophene-2,4-dicarboxylic acid O4-ethyl ester O2-prop-2-enyl ester IUPAC Name: 4-O-ethyl 2-O-prop-2-enyl 3-methyl-5-[[2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)acetyl]amino]thiophene-2,4-dicarboxylate Traditional Name: 3-methyl-5-[[2-[4-(2-naphthylsulfonyl)piperazino]acetyl]amino]thiophene-2,4-dicarboxylic acid O2-allyl ester O4-ethyl ester Formula: C28H31N3O7S2 MolecularWeight: 585.69164

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC=C)NC(=O)CN2CCN(CC2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC=C)NC(=O)CN2CCN(CC2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C28H31N3O7S2/c1-4-16-38-28(34)25-19(3)24(27(33)37-5-2)26(39-25)29-23(32)18-30-12-14-31(15-13-30)40(35,36)22-11-10-20-8-6-7-9-21(20)17-22/h4,6-11,17H,1,5,12-16,18H2,2-3H3,(H,29,32)