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

Systemtic Name: methyl 4-[2-[[(R)-(4-methylphenyl)-thiophen-2-yl-methyl]amino]ethanoylamino]benzoate Openeye Name: methyl 4-[[2-[[(R)-p-tolyl(2-thienyl)methyl]amino]acetyl]amino]benzoate CAS Name: 4-[[2-[[(R)-(4-methylphenyl)-thiophen-2-ylmethyl]amino]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[[(R)-(4-methylphenyl)-thiophen-2-ylmethyl]amino]acetyl]amino]benzoate Traditional Name: 4-[[2-[[(R)-p-tolyl(2-thienyl)methyl]amino]acetyl]amino]benzoic acid methyl ester Formula: C22H22N2O3S MolecularWeight: 394.48668

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C2=CC=CS2)NCC(=O)NC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)[C@H](C2=CC=CS2)NCC(=O)NC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C22H22N2O3S/c1-15-5-7-16(8-6-15)21(19-4-3-13-28-19)23-14-20(25)24-18-11-9-17(10-12-18)22(26)27-2/h3-13,21,23H,14H2,1-2H3,(H,24,25)/t21-/m1/s1