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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C=CC(=O)NCCC(=O)OCC2=NC3=CC=CC=C3S2

Isomeric SMILES

COC1=CC=C(C=C1)/C=C/C(=O)NCCC(=O)OCC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C21H20N2O4S/c1-26-16-9-6-15(7-10-16)8-11-19(24)22-13-12-21(25)27-14-20-23-17-4-2-3-5-18(17)28-20/h2-11H,12-14H2,1H3,(H,22,24)/b11-8+