N-[6-bromanyl-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-3-(4-methoxyphenyl)sulfonyl-propanamide

Systemtic Name: N-[6-bromanyl-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-3-(4-methoxyphenyl)sulfonyl-propanamide Openeye Name: N-[6-bromo-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-3-(4-methoxyphenyl)sulfonyl-propanamide CAS Name: N-[6-bromo-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-3-(4-methoxyphenyl)sulfonylpropanamide IUPAC Name: N-[6-bromo-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-3-(4-methoxyphenyl)sulfonylpropanamide Traditional Name: N-[6-bromo-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-3-(4-methoxyphenyl)sulfonyl-propionamide Formula: C20H21BrN2O5S2 MolecularWeight: 513.42514

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Descriptors Computed from Structure

Canonical SMILES:

COCCN1C2=C(C=C(C=C2)Br)SC1=NC(=O)CCS(=O)(=O)C3=CC=C(C=C3)OC

Isomeric SMILES

COCCN1C2=C(C=C(C=C2)Br)SC1=NC(=O)CCS(=O)(=O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C20H21BrN2O5S2/c1-27-11-10-23-17-8-3-14(21)13-18(17)29-20(23)22-19(24)9-12-30(25,26)16-6-4-15(28-2)5-7-16/h3-8,13H,9-12H2,1-2H3