methyl 4-[2-[[(R)-(4-ethylphenyl)-thiophen-2-yl-methyl]amino]ethanoylamino]benzoate

Systemtic Name: methyl 4-[2-[[(R)-(4-ethylphenyl)-thiophen-2-yl-methyl]amino]ethanoylamino]benzoate Openeye Name: methyl 4-[[2-[[(R)-(4-ethylphenyl)-(2-thienyl)methyl]amino]acetyl]amino]benzoate CAS Name: 4-[[2-[[(R)-(4-ethylphenyl)-thiophen-2-ylmethyl]amino]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[[(R)-(4-ethylphenyl)-thiophen-2-ylmethyl]amino]acetyl]amino]benzoate Traditional Name: 4-[[2-[[(R)-(4-ethylphenyl)-(2-thienyl)methyl]amino]acetyl]amino]benzoic acid methyl ester Formula: C23H24N2O3S MolecularWeight: 408.51326

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(C2=CC=CS2)NCC(=O)NC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CCC1=CC=C(C=C1)[C@H](C2=CC=CS2)NCC(=O)NC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C23H24N2O3S/c1-3-16-6-8-17(9-7-16)22(20-5-4-14-29-20)24-15-21(26)25-19-12-10-18(11-13-19)23(27)28-2/h4-14,22,24H,3,15H2,1-2H3,(H,25,26)/t22-/m1/s1