ethanedioic acid; ethyl 2-[2-[3-(dimethylamino)propylamino]ethanoylamino]-4-phenyl-thiophene-3-carboxylate

Systemtic Name: ethanedioic acid; ethyl 2-[2-[3-(dimethylamino)propylamino]ethanoylamino]-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-[3-(dimethylamino)propylamino]acetyl]amino]-4-phenyl-thiophene-3-carboxylate; oxalic acid CAS Name: 2-[[2-[3-(dimethylamino)propylamino]-1-oxoethyl]amino]-4-phenyl-3-thiophenecarboxylic acid ethyl ester; oxalic acid IUPAC Name: ethyl 2-[[2-[3-(dimethylamino)propylamino]acetyl]amino]-4-phenylthiophene-3-carboxylate; oxalic acid Traditional Name: 2-[[2-[3-(dimethylamino)propylamino]acetyl]amino]-4-phenyl-thiophene-3-carboxylic acid ethyl ester; oxalic acid Formula: C24H31N3O11S MolecularWeight: 569.58144

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)CNCCCN(C)C.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)CNCCCN(C)C.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C20H27N3O3S.2C2H2O4/c1-4-26-20(25)18-16(15-9-6-5-7-10-15)14-27-19(18)22-17(24)13-21-11-8-12-23(2)3;2*3-1(4)2(5)6/h5-7,9-10,14,21H,4,8,11-13H2,1-3H3,(H,22,24);2*(H,3,4)(H,5,6)