N-(6-ethoxy-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-2-methylsulfonyl-benzamide

Systemtic Name: N-(6-ethoxy-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-2-methylsulfonyl-benzamide Openeye Name: N-(3-allyl-6-ethoxy-1,3-benzothiazol-2-ylidene)-2-methylsulfonyl-benzamide CAS Name: N-(6-ethoxy-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-2-methylsulfonylbenzamide IUPAC Name: N-(6-ethoxy-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-2-methylsulfonylbenzamide Traditional Name: N-(3-allyl-6-ethoxy-1,3-benzothiazol-2-ylidene)-2-mesyl-benzamide Formula: C20H20N2O4S2 MolecularWeight: 416.5138

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N(C(=NC(=O)C3=CC=CC=C3S(=O)(=O)C)S2)CC=C

Isomeric SMILES

CCOC1=CC2=C(C=C1)N(C(=NC(=O)C3=CC=CC=C3S(=O)(=O)C)S2)CC=C

InChI

InChI=1S/C20H20N2O4S2/c1-4-12-22-16-11-10-14(26-5-2)13-17(16)27-20(22)21-19(23)15-8-6-7-9-18(15)28(3,24)25/h4,6-11,13H,1,5,12H2,2-3H3