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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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