methyl (2S)-3-(4-hydroxyphenyl)-2-(4-thiophen-2-ylbutanoylamino)propanoate

Systemtic Name: methyl (2S)-3-(4-hydroxyphenyl)-2-(4-thiophen-2-ylbutanoylamino)propanoate Openeye Name: methyl (2S)-3-(4-hydroxyphenyl)-2-[4-(2-thienyl)butanoylamino]propanoate CAS Name: (2S)-3-(4-hydroxyphenyl)-2-[(1-oxo-4-thiophen-2-ylbutyl)amino]propanoic acid methyl ester IUPAC Name: methyl (2S)-3-(4-hydroxyphenyl)-2-(4-thiophen-2-ylbutanoylamino)propanoate Traditional Name: (2S)-3-(4-hydroxyphenyl)-2-[4-(2-thienyl)butanoylamino]propionic acid methyl ester Formula: C18H21NO4S MolecularWeight: 347.42864

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=C(C=C1)O)NC(=O)CCCC2=CC=CS2

Isomeric SMILES

COC(=O)[C@H](CC1=CC=C(C=C1)O)NC(=O)CCCC2=CC=CS2

InChI

InChI=1S/C18H21NO4S/c1-23-18(22)16(12-13-7-9-14(20)10-8-13)19-17(21)6-2-4-15-5-3-11-24-15/h3,5,7-11,16,20H,2,4,6,12H2,1H3,(H,19,21)/t16-/m0/s1