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

Systemtic Name: methyl 3-(2-methoxy-2-oxidanylidene-ethyl)-2-[(E)-3-phenylprop-2-enoyl]imino-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 3-(2-methoxy-2-oxo-ethyl)-2-[(E)-3-phenylprop-2-enoyl]imino-1,3-benzothiazole-6-carboxylate CAS Name: 3-(2-methoxy-2-oxoethyl)-2-[(E)-1-oxo-3-phenylprop-2-enyl]imino-1,3-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl 3-(2-methoxy-2-oxoethyl)-2-[(E)-3-phenylprop-2-enoyl]imino-1,3-benzothiazole-6-carboxylate Traditional Name: 3-(2-keto-2-methoxy-ethyl)-2-[(E)-3-phenylacryloyl]imino-1,3-benzothiazole-6-carboxylic acid methyl ester Formula: C21H18N2O5S MolecularWeight: 410.44302

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CN1C2=C(C=C(C=C2)C(=O)OC)SC1=NC(=O)C=CC3=CC=CC=C3

Isomeric SMILES

COC(=O)CN1C2=C(C=C(C=C2)C(=O)OC)SC1=NC(=O)/C=C/C3=CC=CC=C3

InChI

InChI=1S/C21H18N2O5S/c1-27-19(25)13-23-16-10-9-15(20(26)28-2)12-17(16)29-21(23)22-18(24)11-8-14-6-4-3-5-7-14/h3-12H,13H2,1-2H3/b11-8+,22-21?