methyl 3-[5-methoxy-2-[(E)-3-phenylprop-2-enoyl]imino-1,3-benzothiazol-3-yl]propanoate

Systemtic Name: methyl 3-[5-methoxy-2-[(E)-3-phenylprop-2-enoyl]imino-1,3-benzothiazol-3-yl]propanoate Openeye Name: methyl 3-[5-methoxy-2-[(E)-3-phenylprop-2-enoyl]imino-1,3-benzothiazol-3-yl]propanoate CAS Name: 3-[5-methoxy-2-[(E)-1-oxo-3-phenylprop-2-enyl]imino-1,3-benzothiazol-3-yl]propanoic acid methyl ester IUPAC Name: methyl 3-[5-methoxy-2-[(E)-3-phenylprop-2-enoyl]imino-1,3-benzothiazol-3-yl]propanoate Traditional Name: 3-[5-methoxy-2-[(E)-3-phenylacryloyl]imino-1,3-benzothiazol-3-yl]propionic acid methyl ester Formula: C21H20N2O4S MolecularWeight: 396.4595

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)SC(=NC(=O)C=CC3=CC=CC=C3)N2CCC(=O)OC

Isomeric SMILES

COC1=CC2=C(C=C1)SC(=NC(=O)/C=C/C3=CC=CC=C3)N2CCC(=O)OC

InChI

InChI=1S/C21H20N2O4S/c1-26-16-9-10-18-17(14-16)23(13-12-20(25)27-2)21(28-18)22-19(24)11-8-15-6-4-3-5-7-15/h3-11,14H,12-13H2,1-2H3/b11-8+,22-21?