N-(5,6-dimethoxy-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-2-(phenylmethyl)sulfonyl-ethanamide

Systemtic Name: N-(5,6-dimethoxy-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-2-(phenylmethyl)sulfonyl-ethanamide Openeye Name: N-(3-allyl-5,6-dimethoxy-1,3-benzothiazol-2-ylidene)-2-benzylsulfonyl-acetamide CAS Name: N-(5,6-dimethoxy-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-2-(phenylmethyl)sulfonylacetamide IUPAC Name: 2-benzylsulfonyl-N-(5,6-dimethoxy-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)acetamide Traditional Name: N-(3-allyl-5,6-dimethoxy-1,3-benzothiazol-2-ylidene)-2-benzylsulfonyl-acetamide Formula: C21H22N2O5S2 MolecularWeight: 446.53978

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)N(C(=NC(=O)CS(=O)(=O)CC3=CC=CC=C3)S2)CC=C)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)N(C(=NC(=O)CS(=O)(=O)CC3=CC=CC=C3)S2)CC=C)OC

InChI

InChI=1S/C21H22N2O5S2/c1-4-10-23-16-11-17(27-2)18(28-3)12-19(16)29-21(23)22-20(24)14-30(25,26)13-15-8-6-5-7-9-15/h4-9,11-12H,1,10,13-14H2,2-3H3