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

Systemtic Name: ethyl 3-(2-ethoxyethyl)-2-[4-(phenylmethyl)phenyl]carbonylimino-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 2-(4-benzylbenzoyl)imino-3-(2-ethoxyethyl)-1,3-benzothiazole-6-carboxylate CAS Name: 3-(2-ethoxyethyl)-2-[oxo-[4-(phenylmethyl)phenyl]methyl]imino-1,3-benzothiazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-(4-benzylbenzoyl)imino-3-(2-ethoxyethyl)-1,3-benzothiazole-6-carboxylate Traditional Name: 2-(4-benzylbenzoyl)imino-3-(2-ethoxyethyl)-1,3-benzothiazole-6-carboxylic acid ethyl ester Formula: C28H28N2O4S MolecularWeight: 488.59792

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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)CC4=CC=CC=C4

Isomeric SMILES

CCOCCN1C2=C(C=C(C=C2)C(=O)OCC)SC1=NC(=O)C3=CC=C(C=C3)CC4=CC=CC=C4

InChI

InChI=1S/C28H28N2O4S/c1-3-33-17-16-30-24-15-14-23(27(32)34-4-2)19-25(24)35-28(30)29-26(31)22-12-10-21(11-13-22)18-20-8-6-5-7-9-20/h5-15,19H,3-4,16-18H2,1-2H3