ethyl 3-ethyl-2-[(E)-3-phenylprop-2-enoyl]imino-1,3-benzothiazole-6-carboxylate

Systemtic Name: ethyl 3-ethyl-2-[(E)-3-phenylprop-2-enoyl]imino-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 3-ethyl-2-[(E)-3-phenylprop-2-enoyl]imino-1,3-benzothiazole-6-carboxylate CAS Name: 3-ethyl-2-[(E)-1-oxo-3-phenylprop-2-enyl]imino-1,3-benzothiazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl 3-ethyl-2-[(E)-3-phenylprop-2-enoyl]imino-1,3-benzothiazole-6-carboxylate Traditional Name: 3-ethyl-2-[(E)-3-phenylacryloyl]imino-1,3-benzothiazole-6-carboxylic acid ethyl ester Formula: C21H20N2O3S MolecularWeight: 380.4601

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C(=O)OCC)SC1=NC(=O)C=CC3=CC=CC=C3

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C(=O)OCC)SC1=NC(=O)/C=C/C3=CC=CC=C3

InChI

InChI=1S/C21H20N2O3S/c1-3-23-17-12-11-16(20(25)26-4-2)14-18(17)27-21(23)22-19(24)13-10-15-8-6-5-7-9-15/h5-14H,3-4H2,1-2H3/b13-10+,22-21?