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

Systemtic Name: N-(6-ethyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3-methylsulfonyl-benzamide Openeye Name: N-(6-ethyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3-methylsulfonyl-benzamide CAS Name: N-(6-ethyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3-methylsulfonylbenzamide IUPAC Name: N-(6-ethyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3-methylsulfonylbenzamide Traditional Name: N-(6-ethyl-3-propargyl-1,3-benzothiazol-2-ylidene)-3-mesyl-benzamide Formula: C20H18N2O3S2 MolecularWeight: 398.49852

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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)C)S2)CC#C

Isomeric SMILES

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

InChI

InChI=1S/C20H18N2O3S2/c1-4-11-22-17-10-9-14(5-2)12-18(17)26-20(22)21-19(23)15-7-6-8-16(13-15)27(3,24)25/h1,6-10,12-13H,5,11H2,2-3H3