3-[2-[(4-methoxyphenyl)methyl-(1-thiophen-2-ylpropan-2-yl)amino]-2-oxidanylidene-ethyl]sulfanylpropanoic acid

Systemtic Name: 3-[2-[(4-methoxyphenyl)methyl-(1-thiophen-2-ylpropan-2-yl)amino]-2-oxidanylidene-ethyl]sulfanylpropanoic acid Openeye Name: 3-[2-[(4-methoxyphenyl)methyl-[1-methyl-2-(2-thienyl)ethyl]amino]-2-oxo-ethyl]sulfanylpropanoic acid CAS Name: 3-[[2-[(4-methoxyphenyl)methyl-(1-thiophen-2-ylpropan-2-yl)amino]-2-oxoethyl]thio]propanoic acid IUPAC Name: 3-[2-[(4-methoxyphenyl)methyl-(1-thiophen-2-ylpropan-2-yl)amino]-2-oxoethyl]sulfanylpropanoic acid Traditional Name: 3-[[2-keto-2-[[1-methyl-2-(2-thienyl)ethyl]-p-anisyl-amino]ethyl]thio]propionic acid Formula: C20H25NO4S2 MolecularWeight: 407.5468

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC=CS1)N(CC2=CC=C(C=C2)OC)C(=O)CSCCC(=O)O

Isomeric SMILES

CC(CC1=CC=CS1)N(CC2=CC=C(C=C2)OC)C(=O)CSCCC(=O)O

InChI

InChI=1S/C20H25NO4S2/c1-15(12-18-4-3-10-27-18)21(19(22)14-26-11-9-20(23)24)13-16-5-7-17(25-2)8-6-16/h3-8,10,15H,9,11-14H2,1-2H3,(H,23,24)