N-(6-ethyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3-ethylsulfonyl-benzamide

Systemtic Name: N-(6-ethyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3-ethylsulfonyl-benzamide Openeye Name: N-(6-ethyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3-ethylsulfonyl-benzamide CAS Name: N-(6-ethyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3-ethylsulfonylbenzamide IUPAC Name: N-(6-ethyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3-ethylsulfonylbenzamide Traditional Name: 3-esyl-N-(6-ethyl-3-propargyl-1,3-benzothiazol-2-ylidene)benzamide Formula: C21H20N2O3S2 MolecularWeight: 412.5251

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)N(C(=NC(=O)C3=CC(=CC=C3)S(=O)(=O)CC)S2)CC#C

Isomeric SMILES

CCC1=CC2=C(C=C1)N(C(=NC(=O)C3=CC(=CC=C3)S(=O)(=O)CC)S2)CC#C

InChI

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