dimethyl 5-[3-[1-(3-chlorophenyl)ethylamino]propanoylamino]-3-methyl-thiophene-2,4-dicarboxylate

Systemtic Name: dimethyl 5-[3-[1-(3-chlorophenyl)ethylamino]propanoylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: dimethyl 5-[3-[1-(3-chlorophenyl)ethylamino]propanoylamino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[3-[1-(3-chlorophenyl)ethylamino]-1-oxopropyl]amino]-3-methylthiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[3-[1-(3-chlorophenyl)ethylamino]propanoylamino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[3-[1-(3-chlorophenyl)ethylamino]propanoylamino]-3-methyl-thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C20H23ClN2O5S MolecularWeight: 438.92502

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=O)CCNC(C)C2=CC(=CC=C2)Cl)C(=O)OC

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=O)CCNC(C)C2=CC(=CC=C2)Cl)C(=O)OC

InChI

InChI=1S/C20H23ClN2O5S/c1-11-16(19(25)27-3)18(29-17(11)20(26)28-4)23-15(24)8-9-22-12(2)13-6-5-7-14(21)10-13/h5-7,10,12,22H,8-9H2,1-4H3,(H,23,24)