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

Systemtic Name: 2-ethylsulfonyl-N-(6-methoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)benzamide Openeye Name: 2-ethylsulfonyl-N-(6-methoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)benzamide CAS Name: 2-ethylsulfonyl-N-(6-methoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)benzamide IUPAC Name: 2-ethylsulfonyl-N-(6-methoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)benzamide Traditional Name: 2-esyl-N-(6-methoxy-3-propargyl-1,3-benzothiazol-2-ylidene)benzamide Formula: C20H18N2O4S2 MolecularWeight: 414.49792

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=CC=CC=C1C(=O)N=C2N(C3=C(S2)C=C(C=C3)OC)CC#C

Isomeric SMILES

CCS(=O)(=O)C1=CC=CC=C1C(=O)N=C2N(C3=C(S2)C=C(C=C3)OC)CC#C

InChI

InChI=1S/C20H18N2O4S2/c1-4-12-22-16-11-10-14(26-3)13-17(16)27-20(22)21-19(23)15-8-6-7-9-18(15)28(24,25)5-2/h1,6-11,13H,5,12H2,2-3H3