ethyl 2-[2-(tert-butylamino)ethanoylamino]-4-(3,4-dimethoxyphenyl)thiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-(tert-butylamino)ethanoylamino]-4-(3,4-dimethoxyphenyl)thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(tert-butylamino)acetyl]amino]-4-(3,4-dimethoxyphenyl)thiophene-3-carboxylate CAS Name: 2-[[2-(tert-butylamino)-1-oxoethyl]amino]-4-(3,4-dimethoxyphenyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(tert-butylamino)acetyl]amino]-4-(3,4-dimethoxyphenyl)thiophene-3-carboxylate Traditional Name: 2-[[2-(tert-butylamino)acetyl]amino]-4-(3,4-dimethoxyphenyl)thiophene-3-carboxylic acid ethyl ester Formula: C21H28N2O5S MolecularWeight: 420.52242

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC(=C(C=C2)OC)OC)NC(=O)CNC(C)(C)C

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC(=C(C=C2)OC)OC)NC(=O)CNC(C)(C)C

InChI

InChI=1S/C21H28N2O5S/c1-7-28-20(25)18-14(13-8-9-15(26-5)16(10-13)27-6)12-29-19(18)23-17(24)11-22-21(2,3)4/h8-10,12,22H,7,11H2,1-6H3,(H,23,24)