ethyl 3-ethyl-2-(3-phenoxyphenyl)carbonylimino-1,3-benzothiazole-6-carboxylate

Systemtic Name: ethyl 3-ethyl-2-(3-phenoxyphenyl)carbonylimino-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 3-ethyl-2-(3-phenoxybenzoyl)imino-1,3-benzothiazole-6-carboxylate CAS Name: 3-ethyl-2-[oxo-(3-phenoxyphenyl)methyl]imino-1,3-benzothiazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl 3-ethyl-2-(3-phenoxybenzoyl)imino-1,3-benzothiazole-6-carboxylate Traditional Name: 3-ethyl-2-(3-phenoxybenzoyl)imino-1,3-benzothiazole-6-carboxylic acid ethyl ester Formula: C25H22N2O4S MolecularWeight: 446.51818

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C(=O)OCC)SC1=NC(=O)C3=CC(=CC=C3)OC4=CC=CC=C4

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C(=O)OCC)SC1=NC(=O)C3=CC(=CC=C3)OC4=CC=CC=C4

InChI

InChI=1S/C25H22N2O4S/c1-3-27-21-14-13-18(24(29)30-4-2)16-22(21)32-25(27)26-23(28)17-9-8-12-20(15-17)31-19-10-6-5-7-11-19/h5-16H,3-4H2,1-2H3