methyl 3-(2-methoxy-2-oxidanylidene-ethyl)-2-[4-(phenylmethyl)phenyl]carbonylimino-1,3-benzothiazole-6-carboxylate

Systemtic Name: methyl 3-(2-methoxy-2-oxidanylidene-ethyl)-2-[4-(phenylmethyl)phenyl]carbonylimino-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 2-(4-benzylbenzoyl)imino-3-(2-methoxy-2-oxo-ethyl)-1,3-benzothiazole-6-carboxylate CAS Name: 3-(2-methoxy-2-oxoethyl)-2-[oxo-[4-(phenylmethyl)phenyl]methyl]imino-1,3-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl 2-(4-benzylbenzoyl)imino-3-(2-methoxy-2-oxoethyl)-1,3-benzothiazole-6-carboxylate Traditional Name: 2-(4-benzylbenzoyl)imino-3-(2-keto-2-methoxy-ethyl)-1,3-benzothiazole-6-carboxylic acid methyl ester Formula: C26H22N2O5S MolecularWeight: 474.52828

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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)CC4=CC=CC=C4

Isomeric SMILES

COC(=O)CN1C2=C(C=C(C=C2)C(=O)OC)SC1=NC(=O)C3=CC=C(C=C3)CC4=CC=CC=C4

InChI

InChI=1S/C26H22N2O5S/c1-32-23(29)16-28-21-13-12-20(25(31)33-2)15-22(21)34-26(28)27-24(30)19-10-8-18(9-11-19)14-17-6-4-3-5-7-17/h3-13,15H,14,16H2,1-2H3