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

Systemtic Name: O4-ethyl O2-prop-2-enyl 5-[2-(4-ethoxycarbonylpiperazin-1-ium-1-yl)ethanoylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: O2-allyl O4-ethyl 5-[[2-(4-ethoxycarbonylpiperazin-1-ium-1-yl)acetyl]amino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[2-(4-ethoxycarbonyl-1-piperazin-1-iumyl)-1-oxoethyl]amino]-3-methylthiophene-2,4-dicarboxylic acid O4-ethyl ester O2-prop-2-enyl ester IUPAC Name: 4-O-ethyl 2-O-prop-2-enyl 5-[[2-(4-ethoxycarbonylpiperazin-1-ium-1-yl)acetyl]amino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[[2-(4-carbethoxypiperazin-1-ium-1-yl)acetyl]amino]-3-methyl-thiophene-2,4-dicarboxylic acid O2-allyl ester O4-ethyl ester Formula: C21H30N3O7S+ MolecularWeight: 468.5438

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC=C)NC(=O)C[NH+]2CCN(CC2)C(=O)OCC

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC=C)NC(=O)C[NH+]2CCN(CC2)C(=O)OCC

InChI

InChI=1S/C21H29N3O7S/c1-5-12-31-20(27)17-14(4)16(19(26)29-6-2)18(32-17)22-15(25)13-23-8-10-24(11-9-23)21(28)30-7-3/h5H,1,6-13H2,2-4H3,(H,22,25)/p+1