ethyl 2-[2-(2-dimethylaminoethylamino)ethanoylamino]-4-(4-phenylphenyl)thiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-(2-dimethylaminoethylamino)ethanoylamino]-4-(4-phenylphenyl)thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(2-dimethylaminoethylamino)acetyl]amino]-4-(4-phenylphenyl)thiophene-3-carboxylate CAS Name: 2-[[2-(2-dimethylaminoethylamino)-1-oxoethyl]amino]-4-(4-phenylphenyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(2-dimethylaminoethylamino)acetyl]amino]-4-(4-phenylphenyl)thiophene-3-carboxylate Traditional Name: 2-[[2-(2-dimethylaminoethylamino)acetyl]amino]-4-(4-phenylphenyl)thiophene-3-carboxylic acid ethyl ester Formula: C25H29N3O3S MolecularWeight: 451.58106

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)C3=CC=CC=C3)NC(=O)CNCCN(C)C

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)C3=CC=CC=C3)NC(=O)CNCCN(C)C

InChI

InChI=1S/C25H29N3O3S/c1-4-31-25(30)23-21(17-32-24(23)27-22(29)16-26-14-15-28(2)3)20-12-10-19(11-13-20)18-8-6-5-7-9-18/h5-13,17,26H,4,14-16H2,1-3H3,(H,27,29)