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

Systemtic Name: ethyl 3-(2-ethoxyethyl)-2-[4-(phenylcarbonyl)phenyl]carbonylimino-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 2-(4-benzoylbenzoyl)imino-3-(2-ethoxyethyl)-1,3-benzothiazole-6-carboxylate CAS Name: 2-[(4-benzoylphenyl)-oxomethyl]imino-3-(2-ethoxyethyl)-1,3-benzothiazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-(4-benzoylbenzoyl)imino-3-(2-ethoxyethyl)-1,3-benzothiazole-6-carboxylate Traditional Name: 2-(4-benzoylbenzoyl)imino-3-(2-ethoxyethyl)-1,3-benzothiazole-6-carboxylic acid ethyl ester Formula: C28H26N2O5S MolecularWeight: 502.58144

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCN1C2=C(C=C(C=C2)C(=O)OCC)SC1=NC(=O)C3=CC=C(C=C3)C(=O)C4=CC=CC=C4

Isomeric SMILES

CCOCCN1C2=C(C=C(C=C2)C(=O)OCC)SC1=NC(=O)C3=CC=C(C=C3)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C28H26N2O5S/c1-3-34-17-16-30-23-15-14-22(27(33)35-4-2)18-24(23)36-28(30)29-26(32)21-12-10-20(11-13-21)25(31)19-8-6-5-7-9-19/h5-15,18H,3-4,16-17H2,1-2H3