ethyl 5-ethanoyl-2-[2-[ethyl-(phenylmethyl)amino]ethanoylamino]-4-methyl-thiophene-3-carboxylate

Systemtic Name: ethyl 5-ethanoyl-2-[2-[ethyl-(phenylmethyl)amino]ethanoylamino]-4-methyl-thiophene-3-carboxylate Openeye Name: ethyl 5-acetyl-2-[[2-[benzyl(ethyl)amino]acetyl]amino]-4-methyl-thiophene-3-carboxylate CAS Name: 5-acetyl-2-[[2-[ethyl-(phenylmethyl)amino]-1-oxoethyl]amino]-4-methyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-acetyl-2-[[2-[benzyl(ethyl)amino]acetyl]amino]-4-methylthiophene-3-carboxylate Traditional Name: 5-acetyl-2-[[2-[benzyl(ethyl)amino]acetyl]amino]-4-methyl-thiophene-3-carboxylic acid ethyl ester Formula: C21H26N2O4S MolecularWeight: 402.50714

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC=CC=C1)CC(=O)NC2=C(C(=C(S2)C(=O)C)C)C(=O)OCC

Isomeric SMILES

CCN(CC1=CC=CC=C1)CC(=O)NC2=C(C(=C(S2)C(=O)C)C)C(=O)OCC

InChI

InChI=1S/C21H26N2O4S/c1-5-23(12-16-10-8-7-9-11-16)13-17(25)22-20-18(21(26)27-6-2)14(3)19(28-20)15(4)24/h7-11H,5-6,12-13H2,1-4H3,(H,22,25)