N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-methylsulfanyl-3-nitro-benzamide

Systemtic Name: N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-methylsulfanyl-3-nitro-benzamide Openeye Name: N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-methylsulfanyl-3-nitro-benzamide CAS Name: N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-(methylthio)-3-nitrobenzamide IUPAC Name: N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-methylsulfanyl-3-nitrobenzamide Traditional Name: N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-(methylthio)-3-nitro-benzamide Formula: C17H15N3O4S2 MolecularWeight: 389.4487

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15N3O4S2/c1-3-24-11-5-6-12-15(9-11)26-17(18-12)19-16(21)10-4-7-14(25-2)13(8-10)20(22)23/h4-9H,3H2,1-2H3,(H,18,19,21)