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

Systemtic Name: N-[7-chloranyl-3-(2-ethoxyethyl)-4-methyl-1,3-benzothiazol-2-ylidene]-4-methylsulfonyl-benzamide Openeye Name: N-[7-chloro-3-(2-ethoxyethyl)-4-methyl-1,3-benzothiazol-2-ylidene]-4-methylsulfonyl-benzamide CAS Name: N-[7-chloro-3-(2-ethoxyethyl)-4-methyl-1,3-benzothiazol-2-ylidene]-4-methylsulfonylbenzamide IUPAC Name: N-[7-chloro-3-(2-ethoxyethyl)-4-methyl-1,3-benzothiazol-2-ylidene]-4-methylsulfonylbenzamide Traditional Name: N-[7-chloro-3-(2-ethoxyethyl)-4-methyl-1,3-benzothiazol-2-ylidene]-4-mesyl-benzamide Formula: C20H21ClN2O4S2 MolecularWeight: 452.97474

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21ClN2O4S2/c1-4-27-12-11-23-17-13(2)5-10-16(21)18(17)28-20(23)22-19(24)14-6-8-15(9-7-14)29(3,25)26/h5-10H,4,11-12H2,1-3H3