ethyl 3-(2-ethoxy-2-oxidanylidene-ethyl)-2-[(E)-3-thiophen-2-ylprop-2-enoyl]imino-1,3-benzothiazole-6-carboxylate

Systemtic Name: ethyl 3-(2-ethoxy-2-oxidanylidene-ethyl)-2-[(E)-3-thiophen-2-ylprop-2-enoyl]imino-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 3-(2-ethoxy-2-oxo-ethyl)-2-[(E)-3-(2-thienyl)prop-2-enoyl]imino-1,3-benzothiazole-6-carboxylate CAS Name: 3-(2-ethoxy-2-oxoethyl)-2-[(E)-1-oxo-3-thiophen-2-ylprop-2-enyl]imino-1,3-benzothiazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl 3-(2-ethoxy-2-oxoethyl)-2-[(E)-3-thiophen-2-ylprop-2-enoyl]imino-1,3-benzothiazole-6-carboxylate Traditional Name: 3-(2-ethoxy-2-keto-ethyl)-2-[(E)-3-(2-thienyl)acryloyl]imino-1,3-benzothiazole-6-carboxylic acid ethyl ester Formula: C21H20N2O5S2 MolecularWeight: 444.5239

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C2=C(C=C(C=C2)C(=O)OCC)SC1=NC(=O)C=CC3=CC=CS3

Isomeric SMILES

CCOC(=O)CN1C2=C(C=C(C=C2)C(=O)OCC)SC1=NC(=O)/C=C/C3=CC=CS3

InChI

InChI=1S/C21H20N2O5S2/c1-3-27-19(25)13-23-16-9-7-14(20(26)28-4-2)12-17(16)30-21(23)22-18(24)10-8-15-6-5-11-29-15/h5-12H,3-4,13H2,1-2H3/b10-8+,22-21?