N-(6-ethoxy-3-methyl-1,3-benzothiazol-2-ylidene)-2-(phenylmethyl)sulfonyl-ethanamide

Systemtic Name: N-(6-ethoxy-3-methyl-1,3-benzothiazol-2-ylidene)-2-(phenylmethyl)sulfonyl-ethanamide Openeye Name: 2-benzylsulfonyl-N-(6-ethoxy-3-methyl-1,3-benzothiazol-2-ylidene)acetamide CAS Name: N-(6-ethoxy-3-methyl-1,3-benzothiazol-2-ylidene)-2-(phenylmethyl)sulfonylacetamide IUPAC Name: 2-benzylsulfonyl-N-(6-ethoxy-3-methyl-1,3-benzothiazol-2-ylidene)acetamide Traditional Name: 2-benzylsulfonyl-N-(6-ethoxy-3-methyl-1,3-benzothiazol-2-ylidene)acetamide Formula: C19H20N2O4S2 MolecularWeight: 404.5031

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N(C(=NC(=O)CS(=O)(=O)CC3=CC=CC=C3)S2)C

Isomeric SMILES

CCOC1=CC2=C(C=C1)N(C(=NC(=O)CS(=O)(=O)CC3=CC=CC=C3)S2)C

InChI

InChI=1S/C19H20N2O4S2/c1-3-25-15-9-10-16-17(11-15)26-19(21(16)2)20-18(22)13-27(23,24)12-14-7-5-4-6-8-14/h4-11H,3,12-13H2,1-2H3