methyl 3-[6-ethoxy-2-[(E)-3-phenylprop-2-enoyl]imino-1,3-benzothiazol-3-yl]propanoate

Systemtic Name: methyl 3-[6-ethoxy-2-[(E)-3-phenylprop-2-enoyl]imino-1,3-benzothiazol-3-yl]propanoate Openeye Name: methyl 3-[6-ethoxy-2-[(E)-3-phenylprop-2-enoyl]imino-1,3-benzothiazol-3-yl]propanoate CAS Name: 3-[6-ethoxy-2-[(E)-1-oxo-3-phenylprop-2-enyl]imino-1,3-benzothiazol-3-yl]propanoic acid methyl ester IUPAC Name: methyl 3-[6-ethoxy-2-[(E)-3-phenylprop-2-enoyl]imino-1,3-benzothiazol-3-yl]propanoate Traditional Name: 3-[6-ethoxy-2-[(E)-3-phenylacryloyl]imino-1,3-benzothiazol-3-yl]propionic acid methyl ester Formula: C22H22N2O4S MolecularWeight: 410.48608

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N(C(=NC(=O)C=CC3=CC=CC=C3)S2)CCC(=O)OC

Isomeric SMILES

CCOC1=CC2=C(C=C1)N(C(=NC(=O)/C=C/C3=CC=CC=C3)S2)CCC(=O)OC

InChI

InChI=1S/C22H22N2O4S/c1-3-28-17-10-11-18-19(15-17)29-22(24(18)14-13-21(26)27-2)23-20(25)12-9-16-7-5-4-6-8-16/h4-12,15H,3,13-14H2,1-2H3/b12-9+,23-22?