ethyl 2-[4,6-dimethyl-2-[(E)-3-thiophen-2-ylprop-2-enoyl]imino-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: ethyl 2-[4,6-dimethyl-2-[(E)-3-thiophen-2-ylprop-2-enoyl]imino-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 2-[4,6-dimethyl-2-[(E)-3-(2-thienyl)prop-2-enoyl]imino-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[4,6-dimethyl-2-[(E)-1-oxo-3-thiophen-2-ylprop-2-enyl]imino-1,3-benzothiazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[4,6-dimethyl-2-[(E)-3-thiophen-2-ylprop-2-enoyl]imino-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[4,6-dimethyl-2-[(E)-3-(2-thienyl)acryloyl]imino-1,3-benzothiazol-3-yl]acetic acid ethyl ester Formula: C20H20N2O3S2 MolecularWeight: 400.5144

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C2=C(C=C(C=C2SC1=NC(=O)C=CC3=CC=CS3)C)C

Isomeric SMILES

CCOC(=O)CN1C2=C(C=C(C=C2SC1=NC(=O)/C=C/C3=CC=CS3)C)C

InChI

InChI=1S/C20H20N2O3S2/c1-4-25-18(24)12-22-19-14(3)10-13(2)11-16(19)27-20(22)21-17(23)8-7-15-6-5-9-26-15/h5-11H,4,12H2,1-3H3/b8-7+,21-20?