ethanedioic acid; ethyl 2-[3-(cyclohexylamino)propanoylamino]-5-ethyl-thiophene-3-carboxylate

Systemtic Name: ethanedioic acid; ethyl 2-[3-(cyclohexylamino)propanoylamino]-5-ethyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[3-(cyclohexylamino)propanoylamino]-5-ethyl-thiophene-3-carboxylate; oxalic acid CAS Name: 2-[[3-(cyclohexylamino)-1-oxopropyl]amino]-5-ethyl-3-thiophenecarboxylic acid ethyl ester; oxalic acid IUPAC Name: ethyl 2-[3-(cyclohexylamino)propanoylamino]-5-ethylthiophene-3-carboxylate; oxalic acid Traditional Name: 2-[3-(cyclohexylamino)propanoylamino]-5-ethyl-thiophene-3-carboxylic acid ethyl ester; oxalic acid Formula: C20H30N2O7S MolecularWeight: 442.5264

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=O)CCNC2CCCCC2)C(=O)OCC.C(=O)(C(=O)O)O

Isomeric SMILES

CCC1=CC(=C(S1)NC(=O)CCNC2CCCCC2)C(=O)OCC.C(=O)(C(=O)O)O

InChI

InChI=1S/C18H28N2O3S.C2H2O4/c1-3-14-12-15(18(22)23-4-2)17(24-14)20-16(21)10-11-19-13-8-6-5-7-9-13;3-1(4)2(5)6/h12-13,19H,3-11H2,1-2H3,(H,20,21);(H,3,4)(H,5,6)