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

Systemtic Name: ethyl 2-[6-ethoxy-2-[(E)-3-thiophen-2-ylprop-2-enoyl]imino-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 2-[6-ethoxy-2-[(E)-3-(2-thienyl)prop-2-enoyl]imino-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[6-ethoxy-2-[(E)-1-oxo-3-thiophen-2-ylprop-2-enyl]imino-1,3-benzothiazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[6-ethoxy-2-[(E)-3-thiophen-2-ylprop-2-enoyl]imino-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[6-ethoxy-2-[(E)-3-(2-thienyl)acryloyl]imino-1,3-benzothiazol-3-yl]acetic acid ethyl ester Formula: C20H20N2O4S2 MolecularWeight: 416.5138

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N(C(=NC(=O)C=CC3=CC=CS3)S2)CC(=O)OCC

Isomeric SMILES

CCOC1=CC2=C(C=C1)N(C(=NC(=O)/C=C/C3=CC=CS3)S2)CC(=O)OCC

InChI

InChI=1S/C20H20N2O4S2/c1-3-25-14-7-9-16-17(12-14)28-20(22(16)13-19(24)26-4-2)21-18(23)10-8-15-6-5-11-27-15/h5-12H,3-4,13H2,1-2H3/b10-8+,21-20?