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

Systemtic Name: methyl 3-(2-ethoxy-2-oxidanylidene-ethyl)-2-[4-(phenylcarbonyl)phenyl]carbonylimino-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 2-(4-benzoylbenzoyl)imino-3-(2-ethoxy-2-oxo-ethyl)-1,3-benzothiazole-6-carboxylate CAS Name: 2-[(4-benzoylphenyl)-oxomethyl]imino-3-(2-ethoxy-2-oxoethyl)-1,3-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl 2-(4-benzoylbenzoyl)imino-3-(2-ethoxy-2-oxoethyl)-1,3-benzothiazole-6-carboxylate Traditional Name: 2-(4-benzoylbenzoyl)imino-3-(2-ethoxy-2-keto-ethyl)-1,3-benzothiazole-6-carboxylic acid methyl ester Formula: C27H22N2O6S MolecularWeight: 502.53838

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H22N2O6S/c1-3-35-23(30)16-29-21-14-13-20(26(33)34-2)15-22(21)36-27(29)28-25(32)19-11-9-18(10-12-19)24(31)17-7-5-4-6-8-17/h4-15H,3,16H2,1-2H3