N-[2-(2-methoxyethoxymethylsulfanyl)-1,3-benzothiazol-6-yl]-3-(5-nitrofuran-2-yl)prop-2-enamide

Systemtic Name: N-[2-(2-methoxyethoxymethylsulfanyl)-1,3-benzothiazol-6-yl]-3-(5-nitrofuran-2-yl)prop-2-enamide Openeye Name: N-[2-(2-methoxyethoxymethylsulfanyl)-1,3-benzothiazol-6-yl]-3-(5-nitro-2-furyl)prop-2-enamide CAS Name: N-[2-(2-methoxyethoxymethylthio)-1,3-benzothiazol-6-yl]-3-(5-nitro-2-furanyl)-2-propenamide IUPAC Name: N-[2-(2-methoxyethoxymethylsulfanyl)-1,3-benzothiazol-6-yl]-3-(5-nitrofuran-2-yl)prop-2-enamide Traditional Name: N-[2-(2-methoxyethoxymethylthio)-1,3-benzothiazol-6-yl]-3-(5-nitro-2-furyl)acrylamide Formula: C18H17N3O6S2 MolecularWeight: 435.47408

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Descriptors Computed from Structure

Canonical SMILES:

COCCOCSC1=NC2=C(S1)C=C(C=C2)NC(=O)C=CC3=CC=C(O3)[N+](=O)[O-]

Isomeric SMILES

COCCOCSC1=NC2=C(S1)C=C(C=C2)NC(=O)C=CC3=CC=C(O3)[N+](=O)[O-]

InChI

InChI=1S/C18H17N3O6S2/c1-25-8-9-26-11-28-18-20-14-5-2-12(10-15(14)29-18)19-16(22)6-3-13-4-7-17(27-13)21(23)24/h2-7,10H,8-9,11H2,1H3,(H,19,22)