4-[2-(6-ethyl-4-oxidanylidene-3-prop-2-enyl-thieno[2,3-d]pyrimidin-2-yl)sulfanylethanoyl]-N,N-dimethyl-benzenesulfonamide

Systemtic Name: 4-[2-(6-ethyl-4-oxidanylidene-3-prop-2-enyl-thieno[2,3-d]pyrimidin-2-yl)sulfanylethanoyl]-N,N-dimethyl-benzenesulfonamide Openeye Name: 4-[2-(3-allyl-6-ethyl-4-oxo-thieno[2,3-d]pyrimidin-2-yl)sulfanylacetyl]-N,N-dimethyl-benzenesulfonamide CAS Name: 4-[2-[(6-ethyl-4-oxo-3-prop-2-enyl-2-thieno[2,3-d]pyrimidinyl)thio]-1-oxoethyl]-N,N-dimethylbenzenesulfonamide IUPAC Name: 4-[2-(6-ethyl-4-oxo-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetyl]-N,N-dimethylbenzenesulfonamide Traditional Name: 4-[2-[(3-allyl-6-ethyl-4-keto-thieno[2,3-d]pyrimidin-2-yl)thio]acetyl]-N,N-dimethyl-benzenesulfonamide Formula: C21H23N3O4S3 MolecularWeight: 477.62002

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(S1)N=C(N(C2=O)CC=C)SCC(=O)C3=CC=C(C=C3)S(=O)(=O)N(C)C

Isomeric SMILES

CCC1=CC2=C(S1)N=C(N(C2=O)CC=C)SCC(=O)C3=CC=C(C=C3)S(=O)(=O)N(C)C

InChI

InChI=1S/C21H23N3O4S3/c1-5-11-24-20(26)17-12-15(6-2)30-19(17)22-21(24)29-13-18(25)14-7-9-16(10-8-14)31(27,28)23(3)4/h5,7-10,12H,1,6,11,13H2,2-4H3