5-acetamido-2-nitro-N-[2-(2-prop-2-enoxyethylsulfanyl)-1,3-benzothiazol-6-yl]benzamide

Systemtic Name: 5-acetamido-2-nitro-N-[2-(2-prop-2-enoxyethylsulfanyl)-1,3-benzothiazol-6-yl]benzamide Openeye Name: 5-acetamido-N-[2-(2-allyloxyethylsulfanyl)-1,3-benzothiazol-6-yl]-2-nitro-benzamide CAS Name: 5-acetamido-2-nitro-N-[2-(2-prop-2-enoxyethylthio)-1,3-benzothiazol-6-yl]benzamide IUPAC Name: 5-acetamido-2-nitro-N-[2-(2-prop-2-enoxyethylsulfanyl)-1,3-benzothiazol-6-yl]benzamide Traditional Name: 5-acetamido-N-[2-(2-allyloxyethylthio)-1,3-benzothiazol-6-yl]-2-nitro-benzamide Formula: C21H20N4O5S2 MolecularWeight: 472.5373

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=C(C=C1)[N+](=O)[O-])C(=O)NC2=CC3=C(C=C2)N=C(S3)SCCOCC=C

Isomeric SMILES

CC(=O)NC1=CC(=C(C=C1)[N+](=O)[O-])C(=O)NC2=CC3=C(C=C2)N=C(S3)SCCOCC=C

InChI

InChI=1S/C21H20N4O5S2/c1-3-8-30-9-10-31-21-24-17-6-4-15(12-19(17)32-21)23-20(27)16-11-14(22-13(2)26)5-7-18(16)25(28)29/h3-7,11-12H,1,8-10H2,2H3,(H,22,26)(H,23,27)