N-[6-ethoxy-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-2-(phenylmethylsulfanyl)ethanamide

Systemtic Name: N-[6-ethoxy-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-2-(phenylmethylsulfanyl)ethanamide Openeye Name: 2-benzylsulfanyl-N-[6-ethoxy-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]acetamide CAS Name: N-[6-ethoxy-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-2-(phenylmethylthio)acetamide IUPAC Name: 2-benzylsulfanyl-N-[6-ethoxy-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]acetamide Traditional Name: 2-(benzylthio)-N-[6-ethoxy-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]acetamide Formula: C21H24N2O3S2 MolecularWeight: 416.55686

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N(C(=NC(=O)CSCC3=CC=CC=C3)S2)CCOC

Isomeric SMILES

CCOC1=CC2=C(C=C1)N(C(=NC(=O)CSCC3=CC=CC=C3)S2)CCOC

InChI

InChI=1S/C21H24N2O3S2/c1-3-26-17-9-10-18-19(13-17)28-21(23(18)11-12-25-2)22-20(24)15-27-14-16-7-5-4-6-8-16/h4-10,13H,3,11-12,14-15H2,1-2H3