N-[6-chloranyl-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-3,4,5-triethoxy-benzamide

Systemtic Name: N-[6-chloranyl-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-3,4,5-triethoxy-benzamide Openeye Name: N-[6-chloro-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-3,4,5-triethoxy-benzamide CAS Name: N-[6-chloro-3-[2-(methylthio)ethyl]-1,3-benzothiazol-2-ylidene]-3,4,5-triethoxybenzamide IUPAC Name: N-[6-chloro-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-3,4,5-triethoxybenzamide Traditional Name: N-[6-chloro-3-[2-(methylthio)ethyl]-1,3-benzothiazol-2-ylidene]-3,4,5-triethoxy-benzamide Formula: C23H27ClN2O4S2 MolecularWeight: 495.05448

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)N=C2N(C3=C(S2)C=C(C=C3)Cl)CCSC

Isomeric SMILES

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)N=C2N(C3=C(S2)C=C(C=C3)Cl)CCSC

InChI

InChI=1S/C23H27ClN2O4S2/c1-5-28-18-12-15(13-19(29-6-2)21(18)30-7-3)22(27)25-23-26(10-11-31-4)17-9-8-16(24)14-20(17)32-23/h8-9,12-14H,5-7,10-11H2,1-4H3