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

Systemtic Name: O4-ethyl O2-prop-2-enyl 5-[2-[4-(2-methoxyethyl)piperazin-1-yl]ethanoylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: O2-allyl O4-ethyl 5-[[2-[4-(2-methoxyethyl)piperazin-1-yl]acetyl]amino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[2-[4-(2-methoxyethyl)-1-piperazinyl]-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-(2-methoxyethyl)piperazin-1-yl]acetyl]amino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[[2-[4-(2-methoxyethyl)piperazino]acetyl]amino]-3-methyl-thiophene-2,4-dicarboxylic acid O2-allyl ester O4-ethyl ester Formula: C21H31N3O6S MolecularWeight: 453.55234

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC=C)NC(=O)CN2CCN(CC2)CCOC

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC=C)NC(=O)CN2CCN(CC2)CCOC

InChI

InChI=1S/C21H31N3O6S/c1-5-12-30-21(27)18-15(3)17(20(26)29-6-2)19(31-18)22-16(25)14-24-9-7-23(8-10-24)11-13-28-4/h5H,1,6-14H2,2-4H3,(H,22,25)