N-(2-hept-3-ynylsulfanyl-1,3-benzothiazol-6-yl)-3-(5-nitrofuran-2-yl)prop-2-enamide

Systemtic Name: N-(2-hept-3-ynylsulfanyl-1,3-benzothiazol-6-yl)-3-(5-nitrofuran-2-yl)prop-2-enamide Openeye Name: N-(2-hept-3-ynylsulfanyl-1,3-benzothiazol-6-yl)-3-(5-nitro-2-furyl)prop-2-enamide CAS Name: N-[2-(hept-3-ynylthio)-1,3-benzothiazol-6-yl]-3-(5-nitro-2-furanyl)-2-propenamide IUPAC Name: N-(2-hept-3-ynylsulfanyl-1,3-benzothiazol-6-yl)-3-(5-nitrofuran-2-yl)prop-2-enamide Traditional Name: N-[2-(hept-3-ynylthio)-1,3-benzothiazol-6-yl]-3-(5-nitro-2-furyl)acrylamide Formula: C21H19N3O4S2 MolecularWeight: 441.52326

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Descriptors Computed from Structure

Canonical SMILES:

CCCC#CCCSC1=NC2=C(S1)C=C(C=C2)NC(=O)C=CC3=CC=C(O3)[N+](=O)[O-]

Isomeric SMILES

CCCC#CCCSC1=NC2=C(S1)C=C(C=C2)NC(=O)C=CC3=CC=C(O3)[N+](=O)[O-]

InChI

InChI=1S/C21H19N3O4S2/c1-2-3-4-5-6-13-29-21-23-17-10-7-15(14-18(17)30-21)22-19(25)11-8-16-9-12-20(28-16)24(26)27/h7-12,14H,2-3,6,13H2,1H3,(H,22,25)