1,3-benzothiazol-2-ylmethyl (2S)-2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]propanoate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl (2S)-2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]propanoate Openeye Name: 1,3-benzothiazol-2-ylmethyl (2S)-2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]propanoate CAS Name: (2S)-2-[[(E)-3-(4-methoxyphenyl)-1-oxoprop-2-enyl]amino]propanoic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl (2S)-2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]propanoate Traditional Name: (2S)-2-[[(E)-3-(4-methoxyphenyl)acryloyl]amino]propionic acid 1,3-benzothiazol-2-ylmethyl ester Formula: C21H20N2O4S MolecularWeight: 396.4595

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC1=NC2=CC=CC=C2S1)NC(=O)C=CC3=CC=C(C=C3)OC

Isomeric SMILES

C[C@@H](C(=O)OCC1=NC2=CC=CC=C2S1)NC(=O)/C=C/C3=CC=C(C=C3)OC

InChI

InChI=1S/C21H20N2O4S/c1-14(22-19(24)12-9-15-7-10-16(26-2)11-8-15)21(25)27-13-20-23-17-5-3-4-6-18(17)28-20/h3-12,14H,13H2,1-2H3,(H,22,24)/b12-9+/t14-/m0/s1