2-[2-(2,5-dimethyl-1-prop-2-enyl-pyrrol-3-yl)-2-oxidanylidene-ethyl]sulfanyl-N,N-dimethyl-1,3-benzoxazole-5-sulfonamide

Systemtic Name: 2-[2-(2,5-dimethyl-1-prop-2-enyl-pyrrol-3-yl)-2-oxidanylidene-ethyl]sulfanyl-N,N-dimethyl-1,3-benzoxazole-5-sulfonamide Openeye Name: 2-[2-(1-allyl-2,5-dimethyl-pyrrol-3-yl)-2-oxo-ethyl]sulfanyl-N,N-dimethyl-1,3-benzoxazole-5-sulfonamide CAS Name: 2-[[2-(2,5-dimethyl-1-prop-2-enyl-3-pyrrolyl)-2-oxoethyl]thio]-N,N-dimethyl-1,3-benzoxazole-5-sulfonamide IUPAC Name: 2-[2-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)-2-oxoethyl]sulfanyl-N,N-dimethyl-1,3-benzoxazole-5-sulfonamide Traditional Name: 2-[[2-(1-allyl-2,5-dimethyl-pyrrol-3-yl)-2-keto-ethyl]thio]-N,N-dimethyl-1,3-benzoxazole-5-sulfonamide Formula: C20H23N3O4S2 MolecularWeight: 433.54432

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC=C)C)C(=O)CSC2=NC3=C(O2)C=CC(=C3)S(=O)(=O)N(C)C

Isomeric SMILES

CC1=CC(=C(N1CC=C)C)C(=O)CSC2=NC3=C(O2)C=CC(=C3)S(=O)(=O)N(C)C

InChI

InChI=1S/C20H23N3O4S2/c1-6-9-23-13(2)10-16(14(23)3)18(24)12-28-20-21-17-11-15(7-8-19(17)27-20)29(25,26)22(4)5/h6-8,10-11H,1,9,12H2,2-5H3