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

Systemtic Name: ethyl 2-[6-ethoxy-2-[(E)-3-phenylprop-2-enoyl]imino-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 2-[6-ethoxy-2-[(E)-3-phenylprop-2-enoyl]imino-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[6-ethoxy-2-[(E)-1-oxo-3-phenylprop-2-enyl]imino-1,3-benzothiazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[6-ethoxy-2-[(E)-3-phenylprop-2-enoyl]imino-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[6-ethoxy-2-[(E)-3-phenylacryloyl]imino-1,3-benzothiazol-3-yl]acetic acid ethyl 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)CC(=O)OCC

Isomeric SMILES

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

InChI

InChI=1S/C22H22N2O4S/c1-3-27-17-11-12-18-19(14-17)29-22(24(18)15-21(26)28-4-2)23-20(25)13-10-16-8-6-5-7-9-16/h5-14H,3-4,15H2,1-2H3/b13-10+,23-22?