methyl 3-(2-methoxy-2-oxidanylidene-ethyl)-2-(4-phenylphenyl)carbonylimino-1,3-benzothiazole-6-carboxylate

Systemtic Name: methyl 3-(2-methoxy-2-oxidanylidene-ethyl)-2-(4-phenylphenyl)carbonylimino-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 3-(2-methoxy-2-oxo-ethyl)-2-(4-phenylbenzoyl)imino-1,3-benzothiazole-6-carboxylate CAS Name: 3-(2-methoxy-2-oxoethyl)-2-[oxo-(4-phenylphenyl)methyl]imino-1,3-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl 3-(2-methoxy-2-oxoethyl)-2-(4-phenylbenzoyl)imino-1,3-benzothiazole-6-carboxylate Traditional Name: 3-(2-keto-2-methoxy-ethyl)-2-(4-phenylbenzoyl)imino-1,3-benzothiazole-6-carboxylic acid methyl ester Formula: C25H20N2O5S MolecularWeight: 460.5017

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CN1C2=C(C=C(C=C2)C(=O)OC)SC1=NC(=O)C3=CC=C(C=C3)C4=CC=CC=C4

Isomeric SMILES

COC(=O)CN1C2=C(C=C(C=C2)C(=O)OC)SC1=NC(=O)C3=CC=C(C=C3)C4=CC=CC=C4

InChI

InChI=1S/C25H20N2O5S/c1-31-22(28)15-27-20-13-12-19(24(30)32-2)14-21(20)33-25(27)26-23(29)18-10-8-17(9-11-18)16-6-4-3-5-7-16/h3-14H,15H2,1-2H3