4-ethanoyl-N-[6-ethoxy-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]benzamide

Systemtic Name: 4-ethanoyl-N-[6-ethoxy-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]benzamide Openeye Name: 4-acetyl-N-[6-ethoxy-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]benzamide CAS Name: 4-acetyl-N-[6-ethoxy-3-[2-(methylthio)ethyl]-1,3-benzothiazol-2-ylidene]benzamide IUPAC Name: 4-acetyl-N-[6-ethoxy-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]benzamide Traditional Name: 4-acetyl-N-[6-ethoxy-3-[2-(methylthio)ethyl]-1,3-benzothiazol-2-ylidene]benzamide Formula: C21H22N2O3S2 MolecularWeight: 414.54098

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2O3S2/c1-4-26-17-9-10-18-19(13-17)28-21(23(18)11-12-27-3)22-20(25)16-7-5-15(6-8-16)14(2)24/h5-10,13H,4,11-12H2,1-3H3