N-(4,7-dimethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-ethylsulfonyl-benzamide

Systemtic Name: N-(4,7-dimethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-ethylsulfonyl-benzamide Openeye Name: N-(4,7-dimethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-ethylsulfonyl-benzamide CAS Name: N-(4,7-dimethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-ethylsulfonylbenzamide IUPAC Name: N-(4,7-dimethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-ethylsulfonylbenzamide Traditional Name: N-(4,7-dimethoxy-3-propargyl-1,3-benzothiazol-2-ylidene)-2-esyl-benzamide Formula: C21H20N2O5S2 MolecularWeight: 444.5239

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20N2O5S2/c1-5-13-23-18-15(27-3)11-12-16(28-4)19(18)29-21(23)22-20(24)14-9-7-8-10-17(14)30(25,26)6-2/h1,7-12H,6,13H2,2-4H3