N-(4,7-dimethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-(phenylmethyl)sulfonyl-butanamide

Systemtic Name: N-(4,7-dimethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-(phenylmethyl)sulfonyl-butanamide Openeye Name: 4-benzylsulfonyl-N-(4,7-dimethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)butanamide CAS Name: N-(4,7-dimethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-(phenylmethyl)sulfonylbutanamide IUPAC Name: 4-benzylsulfonyl-N-(4,7-dimethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)butanamide Traditional Name: 4-benzylsulfonyl-N-(4,7-dimethoxy-3-propargyl-1,3-benzothiazol-2-ylidene)butyramide Formula: C23H24N2O5S2 MolecularWeight: 472.57706

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C(=C(C=C1)OC)SC(=NC(=O)CCCS(=O)(=O)CC3=CC=CC=C3)N2CC#C

Isomeric SMILES

COC1=C2C(=C(C=C1)OC)SC(=NC(=O)CCCS(=O)(=O)CC3=CC=CC=C3)N2CC#C

InChI

InChI=1S/C23H24N2O5S2/c1-4-14-25-21-18(29-2)12-13-19(30-3)22(21)31-23(25)24-20(26)11-8-15-32(27,28)16-17-9-6-5-7-10-17/h1,5-7,9-10,12-13H,8,11,14-16H2,2-3H3