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

Systemtic Name: O4-ethyl O2-prop-2-enyl 5-[2-(azocan-1-yl)ethanoylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: O2-allyl O4-ethyl 5-[[2-(azocan-1-yl)acetyl]amino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[2-(1-azocanyl)-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-(azocan-1-yl)acetyl]amino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[[2-(azocan-1-yl)acetyl]amino]-3-methyl-thiophene-2,4-dicarboxylic acid O2-allyl ester O4-ethyl ester Formula: C21H30N2O5S MolecularWeight: 422.5383

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC=C)NC(=O)CN2CCCCCCC2

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC=C)NC(=O)CN2CCCCCCC2

InChI

InChI=1S/C21H30N2O5S/c1-4-13-28-21(26)18-15(3)17(20(25)27-5-2)19(29-18)22-16(24)14-23-11-9-7-6-8-10-12-23/h4H,1,5-14H2,2-3H3,(H,22,24)