methyl 4-[[2-[bis(thiophen-2-ylmethyl)amino]ethanoylamino]methyl]benzoate

Systemtic Name: methyl 4-[[2-[bis(thiophen-2-ylmethyl)amino]ethanoylamino]methyl]benzoate Openeye Name: methyl 4-[[[2-[bis(2-thienylmethyl)amino]acetyl]amino]methyl]benzoate CAS Name: 4-[[[2-[bis(thiophen-2-ylmethyl)amino]-1-oxoethyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[[2-[bis(thiophen-2-ylmethyl)amino]acetyl]amino]methyl]benzoate Traditional Name: 4-[[[2-[bis(2-thenyl)amino]acetyl]amino]methyl]benzoic acid methyl ester Formula: C21H22N2O3S2 MolecularWeight: 414.54098

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CNC(=O)CN(CC2=CC=CS2)CC3=CC=CS3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CNC(=O)CN(CC2=CC=CS2)CC3=CC=CS3

InChI

InChI=1S/C21H22N2O3S2/c1-26-21(25)17-8-6-16(7-9-17)12-22-20(24)15-23(13-18-4-2-10-27-18)14-19-5-3-11-28-19/h2-11H,12-15H2,1H3,(H,22,24)