N-(6-chloranyl-1,3-benzothiazol-2-yl)-3,4,5-triethoxy-N-(pyridin-2-ylmethyl)benzamide

Systemtic Name: N-(6-chloranyl-1,3-benzothiazol-2-yl)-3,4,5-triethoxy-N-(pyridin-2-ylmethyl)benzamide Openeye Name: N-(6-chloro-1,3-benzothiazol-2-yl)-3,4,5-triethoxy-N-(2-pyridylmethyl)benzamide CAS Name: N-(6-chloro-1,3-benzothiazol-2-yl)-3,4,5-triethoxy-N-(2-pyridinylmethyl)benzamide IUPAC Name: N-(6-chloro-1,3-benzothiazol-2-yl)-3,4,5-triethoxy-N-(pyridin-2-ylmethyl)benzamide Traditional Name: N-(6-chloro-1,3-benzothiazol-2-yl)-3,4,5-triethoxy-N-(2-pyridylmethyl)benzamide Formula: C26H26ClN3O4S MolecularWeight: 512.02034

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)N(CC2=CC=CC=N2)C3=NC4=C(S3)C=C(C=C4)Cl

Isomeric SMILES

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)N(CC2=CC=CC=N2)C3=NC4=C(S3)C=C(C=C4)Cl

InChI

InChI=1S/C26H26ClN3O4S/c1-4-32-21-13-17(14-22(33-5-2)24(21)34-6-3)25(31)30(16-19-9-7-8-12-28-19)26-29-20-11-10-18(27)15-23(20)35-26/h7-15H,4-6,16H2,1-3H3