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

Systemtic Name: ethyl 3-(2-methoxy-2-oxidanylidene-ethyl)-2-[(E)-3-phenylprop-2-enoyl]imino-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C22H20N2O5S MolecularWeight: 424.4696

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C=C1)N(C(=NC(=O)C=CC3=CC=CC=C3)S2)CC(=O)OC

Isomeric SMILES

CCOC(=O)C1=CC2=C(C=C1)N(C(=NC(=O)/C=C/C3=CC=CC=C3)S2)CC(=O)OC

InChI

InChI=1S/C22H20N2O5S/c1-3-29-21(27)16-10-11-17-18(13-16)30-22(24(17)14-20(26)28-2)23-19(25)12-9-15-7-5-4-6-8-15/h4-13H,3,14H2,1-2H3/b12-9+,23-22?