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

Systemtic Name: ethyl 5-[2-[cyclopropyl-(phenylmethyl)amino]ethanoylamino]-3-methyl-thiophene-2-carboxylate Openeye Name: ethyl 5-[[2-[benzyl(cyclopropyl)amino]acetyl]amino]-3-methyl-thiophene-2-carboxylate CAS Name: 5-[[2-[cyclopropyl-(phenylmethyl)amino]-1-oxoethyl]amino]-3-methyl-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[[2-[benzyl(cyclopropyl)amino]acetyl]amino]-3-methylthiophene-2-carboxylate Traditional Name: 5-[[2-[benzyl(cyclopropyl)amino]acetyl]amino]-3-methyl-thiophene-2-carboxylic acid ethyl ester Formula: C20H24N2O3S MolecularWeight: 372.48116

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=C(S1)NC(=O)CN(CC2=CC=CC=C2)C3CC3)C

Isomeric SMILES

CCOC(=O)C1=C(C=C(S1)NC(=O)CN(CC2=CC=CC=C2)C3CC3)C

InChI

InChI=1S/C20H24N2O3S/c1-3-25-20(24)19-14(2)11-18(26-19)21-17(23)13-22(16-9-10-16)12-15-7-5-4-6-8-15/h4-8,11,16H,3,9-10,12-13H2,1-2H3,(H,21,23)