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

Systemtic Name: methyl 3-(2-ethoxyethyl)-2-[(E)-3-phenylprop-2-enoyl]imino-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 3-(2-ethoxyethyl)-2-[(E)-3-phenylprop-2-enoyl]imino-1,3-benzothiazole-6-carboxylate CAS Name: 3-(2-ethoxyethyl)-2-[(E)-1-oxo-3-phenylprop-2-enyl]imino-1,3-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl 3-(2-ethoxyethyl)-2-[(E)-3-phenylprop-2-enoyl]imino-1,3-benzothiazole-6-carboxylate Traditional Name: 3-(2-ethoxyethyl)-2-[(E)-3-phenylacryloyl]imino-1,3-benzothiazole-6-carboxylic acid methyl ester Formula: C22H22N2O4S MolecularWeight: 410.48608

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCN1C2=C(C=C(C=C2)C(=O)OC)SC1=NC(=O)C=CC3=CC=CC=C3

Isomeric SMILES

CCOCCN1C2=C(C=C(C=C2)C(=O)OC)SC1=NC(=O)/C=C/C3=CC=CC=C3

InChI

InChI=1S/C22H22N2O4S/c1-3-28-14-13-24-18-11-10-17(21(26)27-2)15-19(18)29-22(24)23-20(25)12-9-16-7-5-4-6-8-16/h4-12,15H,3,13-14H2,1-2H3/b12-9+,23-22?