methyl 3-[2-[[(R)-(4-ethylphenyl)-thiophen-2-yl-methyl]amino]ethanoylamino]-4-methyl-benzoate

Systemtic Name: methyl 3-[2-[[(R)-(4-ethylphenyl)-thiophen-2-yl-methyl]amino]ethanoylamino]-4-methyl-benzoate Openeye Name: methyl 3-[[2-[[(R)-(4-ethylphenyl)-(2-thienyl)methyl]amino]acetyl]amino]-4-methyl-benzoate CAS Name: 3-[[2-[[(R)-(4-ethylphenyl)-thiophen-2-ylmethyl]amino]-1-oxoethyl]amino]-4-methylbenzoic acid methyl ester IUPAC Name: methyl 3-[[2-[[(R)-(4-ethylphenyl)-thiophen-2-ylmethyl]amino]acetyl]amino]-4-methylbenzoate Traditional Name: 3-[[2-[[(R)-(4-ethylphenyl)-(2-thienyl)methyl]amino]acetyl]amino]-4-methyl-benzoic acid methyl ester Formula: C24H26N2O3S MolecularWeight: 422.53984

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H26N2O3S/c1-4-17-8-11-18(12-9-17)23(21-6-5-13-30-21)25-15-22(27)26-20-14-19(24(28)29-3)10-7-16(20)2/h5-14,23,25H,4,15H2,1-3H3,(H,26,27)/t23-/m1/s1