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

Systemtic Name: methyl 3-[6-ethoxy-2-[(E)-3-thiophen-2-ylprop-2-enoyl]imino-1,3-benzothiazol-3-yl]propanoate Openeye Name: methyl 3-[6-ethoxy-2-[(E)-3-(2-thienyl)prop-2-enoyl]imino-1,3-benzothiazol-3-yl]propanoate CAS Name: 3-[6-ethoxy-2-[(E)-1-oxo-3-thiophen-2-ylprop-2-enyl]imino-1,3-benzothiazol-3-yl]propanoic acid methyl ester IUPAC Name: methyl 3-[6-ethoxy-2-[(E)-3-thiophen-2-ylprop-2-enoyl]imino-1,3-benzothiazol-3-yl]propanoate Traditional Name: 3-[6-ethoxy-2-[(E)-3-(2-thienyl)acryloyl]imino-1,3-benzothiazol-3-yl]propionic acid methyl 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)CCC(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C20H20N2O4S2/c1-3-26-14-6-8-16-17(13-14)28-20(22(16)11-10-19(24)25-2)21-18(23)9-7-15-5-4-12-27-15/h4-9,12-13H,3,10-11H2,1-2H3/b9-7+,21-20?