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

Systemtic Name: ethyl 3-[6-ethyl-2-[(E)-3-thiophen-2-ylprop-2-enoyl]imino-1,3-benzothiazol-3-yl]propanoate Openeye Name: ethyl 3-[6-ethyl-2-[(E)-3-(2-thienyl)prop-2-enoyl]imino-1,3-benzothiazol-3-yl]propanoate CAS Name: 3-[6-ethyl-2-[(E)-1-oxo-3-thiophen-2-ylprop-2-enyl]imino-1,3-benzothiazol-3-yl]propanoic acid ethyl ester IUPAC Name: ethyl 3-[6-ethyl-2-[(E)-3-thiophen-2-ylprop-2-enoyl]imino-1,3-benzothiazol-3-yl]propanoate Traditional Name: 3-[6-ethyl-2-[(E)-3-(2-thienyl)acryloyl]imino-1,3-benzothiazol-3-yl]propionic acid ethyl ester Formula: C21H22N2O3S2 MolecularWeight: 414.54098

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)N(C(=NC(=O)C=CC3=CC=CS3)S2)CCC(=O)OCC

Isomeric SMILES

CCC1=CC2=C(C=C1)N(C(=NC(=O)/C=C/C3=CC=CS3)S2)CCC(=O)OCC

InChI

InChI=1S/C21H22N2O3S2/c1-3-15-7-9-17-18(14-15)28-21(23(17)12-11-20(25)26-4-2)22-19(24)10-8-16-6-5-13-27-16/h5-10,13-14H,3-4,11-12H2,1-2H3/b10-8+,22-21?