ethyl 3-methyl-5-[2-[(phenylmethyl)-propan-2-yl-amino]ethanoylamino]thiophene-2-carboxylate

Systemtic Name: ethyl 3-methyl-5-[2-[(phenylmethyl)-propan-2-yl-amino]ethanoylamino]thiophene-2-carboxylate Openeye Name: ethyl 5-[[2-[benzyl(isopropyl)amino]acetyl]amino]-3-methyl-thiophene-2-carboxylate CAS Name: 3-methyl-5-[[1-oxo-2-[(phenylmethyl)-propan-2-ylamino]ethyl]amino]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[[2-[benzyl(propan-2-yl)amino]acetyl]amino]-3-methylthiophene-2-carboxylate Traditional Name: 5-[[2-[benzyl(isopropyl)amino]acetyl]amino]-3-methyl-thiophene-2-carboxylic acid ethyl ester Formula: C20H26N2O3S MolecularWeight: 374.49704

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=C(S1)NC(=O)CN(CC2=CC=CC=C2)C(C)C)C

Isomeric SMILES

CCOC(=O)C1=C(C=C(S1)NC(=O)CN(CC2=CC=CC=C2)C(C)C)C

InChI

InChI=1S/C20H26N2O3S/c1-5-25-20(24)19-15(4)11-18(26-19)21-17(23)13-22(14(2)3)12-16-9-7-6-8-10-16/h6-11,14H,5,12-13H2,1-4H3,(H,21,23)