N-[2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]ethanoyl]-3-nitro-benzamide

Systemtic Name: N-[2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]ethanoyl]-3-nitro-benzamide Openeye Name: N-[2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]acetyl]-3-nitro-benzamide CAS Name: N-[2-[(6-ethoxy-1,3-benzothiazol-2-yl)thio]-1-oxoethyl]-3-nitrobenzamide IUPAC Name: N-[2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]acetyl]-3-nitrobenzamide Traditional Name: N-[2-[(6-ethoxy-1,3-benzothiazol-2-yl)thio]acetyl]-3-nitro-benzamide Formula: C18H15N3O5S2 MolecularWeight: 417.4588

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(S2)SCC(=O)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(S2)SCC(=O)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H15N3O5S2/c1-2-26-13-6-7-14-15(9-13)28-18(19-14)27-10-16(22)20-17(23)11-4-3-5-12(8-11)21(24)25/h3-9H,2,10H2,1H3,(H,20,22,23)