N-(5,7-dimethyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-ethylsulfonyl-benzamide

Systemtic Name: N-(5,7-dimethyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-ethylsulfonyl-benzamide Openeye Name: N-(5,7-dimethyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-ethylsulfonyl-benzamide CAS Name: N-(5,7-dimethyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-ethylsulfonylbenzamide IUPAC Name: N-(5,7-dimethyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-ethylsulfonylbenzamide Traditional Name: N-(5,7-dimethyl-3-propargyl-1,3-benzothiazol-2-ylidene)-2-esyl-benzamide Formula: C21H20N2O3S2 MolecularWeight: 412.5251

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=CC=CC=C1C(=O)N=C2N(C3=CC(=CC(=C3S2)C)C)CC#C

Isomeric SMILES

CCS(=O)(=O)C1=CC=CC=C1C(=O)N=C2N(C3=CC(=CC(=C3S2)C)C)CC#C

InChI

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