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

Systemtic Name: N-[6-bromanyl-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-3,4,5-triethoxy-benzamide Openeye Name: N-[6-bromo-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-3,4,5-triethoxy-benzamide CAS Name: N-[6-bromo-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-3,4,5-triethoxybenzamide IUPAC Name: N-[6-bromo-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-3,4,5-triethoxybenzamide Traditional Name: N-[6-bromo-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-3,4,5-triethoxy-benzamide Formula: C23H27BrN2O5S MolecularWeight: 523.43988

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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)Br)CCOC

Isomeric SMILES

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)N=C2N(C3=C(S2)C=C(C=C3)Br)CCOC

InChI

InChI=1S/C23H27BrN2O5S/c1-5-29-18-12-15(13-19(30-6-2)21(18)31-7-3)22(27)25-23-26(10-11-28-4)17-9-8-16(24)14-20(17)32-23/h8-9,12-14H,5-7,10-11H2,1-4H3