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

Systemtic Name: O4-ethyl O2-prop-2-enyl 3-methyl-5-[2-(3-oxidanylidenepiperazin-1-yl)ethanoylamino]thiophene-2,4-dicarboxylate Openeye Name: O2-allyl O4-ethyl 3-methyl-5-[[2-(3-oxopiperazin-1-yl)acetyl]amino]thiophene-2,4-dicarboxylate CAS Name: 3-methyl-5-[[1-oxo-2-(3-oxo-1-piperazinyl)ethyl]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-(3-oxopiperazin-1-yl)acetyl]amino]thiophene-2,4-dicarboxylate Traditional Name: 5-[[2-(3-ketopiperazino)acetyl]amino]-3-methyl-thiophene-2,4-dicarboxylic acid O2-allyl ester O4-ethyl ester Formula: C18H23N3O6S MolecularWeight: 409.45672

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC=C)NC(=O)CN2CCNC(=O)C2

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC=C)NC(=O)CN2CCNC(=O)C2

InChI

InChI=1S/C18H23N3O6S/c1-4-8-27-18(25)15-11(3)14(17(24)26-5-2)16(28-15)20-13(23)10-21-7-6-19-12(22)9-21/h4H,1,5-10H2,2-3H3,(H,19,22)(H,20,23)