dimethyl 3-methyl-5-[2-(naphthalen-1-ylamino)ethanoylamino]thiophene-2,4-dicarboxylate

Systemtic Name: dimethyl 3-methyl-5-[2-(naphthalen-1-ylamino)ethanoylamino]thiophene-2,4-dicarboxylate Openeye Name: dimethyl 3-methyl-5-[[2-(1-naphthylamino)acetyl]amino]thiophene-2,4-dicarboxylate CAS Name: 3-methyl-5-[[2-(1-naphthalenylamino)-1-oxoethyl]amino]thiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 3-methyl-5-[[2-(naphthalen-1-ylamino)acetyl]amino]thiophene-2,4-dicarboxylate Traditional Name: 3-methyl-5-[[2-(1-naphthylamino)acetyl]amino]thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C21H20N2O5S MolecularWeight: 412.4589

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=O)CNC2=CC=CC3=CC=CC=C32)C(=O)OC

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=O)CNC2=CC=CC3=CC=CC=C32)C(=O)OC

InChI

InChI=1S/C21H20N2O5S/c1-12-17(20(25)27-2)19(29-18(12)21(26)28-3)23-16(24)11-22-15-10-6-8-13-7-4-5-9-14(13)15/h4-10,22H,11H2,1-3H3,(H,23,24)