(E)-3-(furan-2-yl)-N-(6-pyrrolidin-1-ylsulfonyl-1,3-benzothiazol-2-yl)prop-2-enamide

Systemtic Name: (E)-3-(furan-2-yl)-N-(6-pyrrolidin-1-ylsulfonyl-1,3-benzothiazol-2-yl)prop-2-enamide Openeye Name: (E)-3-(2-furyl)-N-(6-pyrrolidin-1-ylsulfonyl-1,3-benzothiazol-2-yl)prop-2-enamide CAS Name: (E)-3-(2-furanyl)-N-[6-(1-pyrrolidinylsulfonyl)-1,3-benzothiazol-2-yl]-2-propenamide IUPAC Name: (E)-3-(furan-2-yl)-N-(6-pyrrolidin-1-ylsulfonyl-1,3-benzothiazol-2-yl)prop-2-enamide Traditional Name: (E)-3-(2-furyl)-N-(6-pyrrolidinosulfonyl-1,3-benzothiazol-2-yl)acrylamide Formula: C18H17N3O4S2 MolecularWeight: 403.47528

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC3=C(C=C2)N=C(S3)NC(=O)C=CC4=CC=CO4

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC3=C(C=C2)N=C(S3)NC(=O)/C=C/C4=CC=CO4

InChI

InChI=1S/C18H17N3O4S2/c22-17(8-5-13-4-3-11-25-13)20-18-19-15-7-6-14(12-16(15)26-18)27(23,24)21-9-1-2-10-21/h3-8,11-12H,1-2,9-10H2,(H,19,20,22)/b8-5+