N-(5,7-dimethyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-(phenylmethyl)sulfonyl-ethanamide

Systemtic Name: N-(5,7-dimethyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-(phenylmethyl)sulfonyl-ethanamide Openeye Name: 2-benzylsulfonyl-N-(5,7-dimethyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)acetamide CAS Name: N-(5,7-dimethyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-(phenylmethyl)sulfonylacetamide IUPAC Name: 2-benzylsulfonyl-N-(5,7-dimethyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)acetamide Traditional Name: 2-benzylsulfonyl-N-(5,7-dimethyl-3-propargyl-1,3-benzothiazol-2-ylidene)acetamide Formula: C21H20N2O3S2 MolecularWeight: 412.5251

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)N(C(=NC(=O)CS(=O)(=O)CC3=CC=CC=C3)S2)CC#C)C

Isomeric SMILES

CC1=CC(=C2C(=C1)N(C(=NC(=O)CS(=O)(=O)CC3=CC=CC=C3)S2)CC#C)C

InChI

InChI=1S/C21H20N2O3S2/c1-4-10-23-18-12-15(2)11-16(3)20(18)27-21(23)22-19(24)14-28(25,26)13-17-8-6-5-7-9-17/h1,5-9,11-12H,10,13-14H2,2-3H3