N-[6-acetamido-3-(2-ethoxyethyl)-1,3-benzothiazol-2-ylidene]-2-(4-methoxyphenyl)sulfanyl-ethanamide

Systemtic Name: N-[6-acetamido-3-(2-ethoxyethyl)-1,3-benzothiazol-2-ylidene]-2-(4-methoxyphenyl)sulfanyl-ethanamide Openeye Name: N-[6-acetamido-3-(2-ethoxyethyl)-1,3-benzothiazol-2-ylidene]-2-(4-methoxyphenyl)sulfanyl-acetamide CAS Name: N-[6-acetamido-3-(2-ethoxyethyl)-1,3-benzothiazol-2-ylidene]-2-[(4-methoxyphenyl)thio]acetamide IUPAC Name: N-[6-acetamido-3-(2-ethoxyethyl)-1,3-benzothiazol-2-ylidene]-2-(4-methoxyphenyl)sulfanylacetamide Traditional Name: N-[6-acetamido-3-(2-ethoxyethyl)-1,3-benzothiazol-2-ylidene]-2-[(4-methoxyphenyl)thio]acetamide Formula: C22H25N3O4S2 MolecularWeight: 459.5816

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCN1C2=C(C=C(C=C2)NC(=O)C)SC1=NC(=O)CSC3=CC=C(C=C3)OC

Isomeric SMILES

CCOCCN1C2=C(C=C(C=C2)NC(=O)C)SC1=NC(=O)CSC3=CC=C(C=C3)OC

InChI

InChI=1S/C22H25N3O4S2/c1-4-29-12-11-25-19-10-5-16(23-15(2)26)13-20(19)31-22(25)24-21(27)14-30-18-8-6-17(28-3)7-9-18/h5-10,13H,4,11-12,14H2,1-3H3,(H,23,26)