ethyl 2-[4-ethoxy-2-[(E)-3-thiophen-2-ylprop-2-enoyl]imino-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: ethyl 2-[4-ethoxy-2-[(E)-3-thiophen-2-ylprop-2-enoyl]imino-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 2-[4-ethoxy-2-[(E)-3-(2-thienyl)prop-2-enoyl]imino-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[4-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-[4-ethoxy-2-[(E)-3-thiophen-2-ylprop-2-enoyl]imino-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[4-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=C2C(=CC=C1)SC(=NC(=O)C=CC3=CC=CS3)N2CC(=O)OCC

Isomeric SMILES

CCOC1=C2C(=CC=C1)SC(=NC(=O)/C=C/C3=CC=CS3)N2CC(=O)OCC

InChI

InChI=1S/C20H20N2O4S2/c1-3-25-15-8-5-9-16-19(15)22(13-18(24)26-4-2)20(28-16)21-17(23)11-10-14-7-6-12-27-14/h5-12H,3-4,13H2,1-2H3/b11-10+,21-20?