N-[7-chloranyl-3-(2-ethoxyethyl)-4-methyl-1,3-benzothiazol-2-ylidene]-3-methylsulfanyl-benzamide

Systemtic Name: N-[7-chloranyl-3-(2-ethoxyethyl)-4-methyl-1,3-benzothiazol-2-ylidene]-3-methylsulfanyl-benzamide Openeye Name: N-[7-chloro-3-(2-ethoxyethyl)-4-methyl-1,3-benzothiazol-2-ylidene]-3-methylsulfanyl-benzamide CAS Name: N-[7-chloro-3-(2-ethoxyethyl)-4-methyl-1,3-benzothiazol-2-ylidene]-3-(methylthio)benzamide IUPAC Name: N-[7-chloro-3-(2-ethoxyethyl)-4-methyl-1,3-benzothiazol-2-ylidene]-3-methylsulfanylbenzamide Traditional Name: N-[7-chloro-3-(2-ethoxyethyl)-4-methyl-1,3-benzothiazol-2-ylidene]-3-(methylthio)benzamide Formula: C20H21ClN2O2S2 MolecularWeight: 420.97594

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCN1C2=C(C=CC(=C2SC1=NC(=O)C3=CC(=CC=C3)SC)Cl)C

Isomeric SMILES

CCOCCN1C2=C(C=CC(=C2SC1=NC(=O)C3=CC(=CC=C3)SC)Cl)C

InChI

InChI=1S/C20H21ClN2O2S2/c1-4-25-11-10-23-17-13(2)8-9-16(21)18(17)27-20(23)22-19(24)14-6-5-7-15(12-14)26-3/h5-9,12H,4,10-11H2,1-3H3