(2S)-2-[[(E)-2-acetamido-3-thiophen-2-yl-prop-2-enoyl]amino]-3-(4-hydroxyphenyl)propanoic acid

Systemtic Name: (2S)-2-[[(E)-2-acetamido-3-thiophen-2-yl-prop-2-enoyl]amino]-3-(4-hydroxyphenyl)propanoic acid Openeye Name: (2S)-2-[[(E)-2-acetamido-3-(2-thienyl)prop-2-enoyl]amino]-3-(4-hydroxyphenyl)propanoic acid CAS Name: (2S)-2-[[(E)-2-acetamido-1-oxo-3-thiophen-2-ylprop-2-enyl]amino]-3-(4-hydroxyphenyl)propanoic acid IUPAC Name: (2S)-2-[[(E)-2-acetamido-3-thiophen-2-ylprop-2-enoyl]amino]-3-(4-hydroxyphenyl)propanoic acid Traditional Name: (2S)-2-[[(E)-2-acetamido-3-(2-thienyl)acryloyl]amino]-3-(4-hydroxyphenyl)propionic acid Formula: C18H18N2O5S MolecularWeight: 374.41092

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(=CC1=CC=CS1)C(=O)NC(CC2=CC=C(C=C2)O)C(=O)O

Isomeric SMILES

CC(=O)N/C(=C/C1=CC=CS1)/C(=O)N[C@@H](CC2=CC=C(C=C2)O)C(=O)O

InChI

InChI=1S/C18H18N2O5S/c1-11(21)19-15(10-14-3-2-8-26-14)17(23)20-16(18(24)25)9-12-4-6-13(22)7-5-12/h2-8,10,16,22H,9H2,1H3,(H,19,21)(H,20,23)(H,24,25)/b15-10+/t16-/m0/s1