N-(4-bromanyl-3-methyl-1,3-benzothiazol-2-ylidene)-3,4,5-triethoxy-benzamide

Systemtic Name: N-(4-bromanyl-3-methyl-1,3-benzothiazol-2-ylidene)-3,4,5-triethoxy-benzamide Openeye Name: N-(4-bromo-3-methyl-1,3-benzothiazol-2-ylidene)-3,4,5-triethoxy-benzamide CAS Name: N-(4-bromo-3-methyl-1,3-benzothiazol-2-ylidene)-3,4,5-triethoxybenzamide IUPAC Name: N-(4-bromo-3-methyl-1,3-benzothiazol-2-ylidene)-3,4,5-triethoxybenzamide Traditional Name: N-(4-bromo-3-methyl-1,3-benzothiazol-2-ylidene)-3,4,5-triethoxy-benzamide Formula: C21H23BrN2O4S MolecularWeight: 479.38732

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)N=C2N(C3=C(S2)C=CC=C3Br)C

Isomeric SMILES

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)N=C2N(C3=C(S2)C=CC=C3Br)C

InChI

InChI=1S/C21H23BrN2O4S/c1-5-26-15-11-13(12-16(27-6-2)19(15)28-7-3)20(25)23-21-24(4)18-14(22)9-8-10-17(18)29-21/h8-12H,5-7H2,1-4H3