methyl 3-[2-[(2-methylphenyl)-methylsulfonyl-amino]ethanoylamino]-3-thiophen-2-yl-propanoate

Systemtic Name: methyl 3-[2-[(2-methylphenyl)-methylsulfonyl-amino]ethanoylamino]-3-thiophen-2-yl-propanoate Openeye Name: methyl 3-[[2-(2-methyl-N-methylsulfonyl-anilino)acetyl]amino]-3-(2-thienyl)propanoate CAS Name: 3-[[2-(2-methyl-N-methylsulfonylanilino)-1-oxoethyl]amino]-3-thiophen-2-ylpropanoic acid methyl ester IUPAC Name: methyl 3-[[2-(2-methyl-N-methylsulfonylanilino)acetyl]amino]-3-thiophen-2-ylpropanoate Traditional Name: 3-[[2-(N-mesyl-2-methyl-anilino)acetyl]amino]-3-(2-thienyl)propionic acid methyl ester Formula: C18H22N2O5S2 MolecularWeight: 410.50768

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N(CC(=O)NC(CC(=O)OC)C2=CC=CS2)S(=O)(=O)C

Isomeric SMILES

CC1=CC=CC=C1N(CC(=O)NC(CC(=O)OC)C2=CC=CS2)S(=O)(=O)C

InChI

InChI=1S/C18H22N2O5S2/c1-13-7-4-5-8-15(13)20(27(3,23)24)12-17(21)19-14(11-18(22)25-2)16-9-6-10-26-16/h4-10,14H,11-12H2,1-3H3,(H,19,21)