ethyl 5-ethanoyl-4-methyl-2-[2-(naphthalen-1-ylamino)ethanoylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 5-ethanoyl-4-methyl-2-[2-(naphthalen-1-ylamino)ethanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 5-acetyl-4-methyl-2-[[2-(1-naphthylamino)acetyl]amino]thiophene-3-carboxylate CAS Name: 5-acetyl-4-methyl-2-[[2-(1-naphthalenylamino)-1-oxoethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-acetyl-4-methyl-2-[[2-(naphthalen-1-ylamino)acetyl]amino]thiophene-3-carboxylate Traditional Name: 5-acetyl-4-methyl-2-[[2-(1-naphthylamino)acetyl]amino]thiophene-3-carboxylic acid ethyl ester Formula: C22H22N2O4S MolecularWeight: 410.48608

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)C)NC(=O)CNC2=CC=CC3=CC=CC=C32

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)C)NC(=O)CNC2=CC=CC3=CC=CC=C32

InChI

InChI=1S/C22H22N2O4S/c1-4-28-22(27)19-13(2)20(14(3)25)29-21(19)24-18(26)12-23-17-11-7-9-15-8-5-6-10-16(15)17/h5-11,23H,4,12H2,1-3H3,(H,24,26)