N-(3-ethyl-6-nitro-1,3-benzothiazol-2-ylidene)-4-pentoxy-benzamide

Systemtic Name: N-(3-ethyl-6-nitro-1,3-benzothiazol-2-ylidene)-4-pentoxy-benzamide Openeye Name: N-(3-ethyl-6-nitro-1,3-benzothiazol-2-ylidene)-4-pentoxy-benzamide CAS Name: N-(3-ethyl-6-nitro-1,3-benzothiazol-2-ylidene)-4-pentoxybenzamide IUPAC Name: N-(3-ethyl-6-nitro-1,3-benzothiazol-2-ylidene)-4-pentoxybenzamide Traditional Name: 4-amoxy-N-(3-ethyl-6-nitro-1,3-benzothiazol-2-ylidene)benzamide Formula: C21H23N3O4S MolecularWeight: 413.49002

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=C(C=C1)C(=O)N=C2N(C3=C(S2)C=C(C=C3)[N+](=O)[O-])CC

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)C(=O)N=C2N(C3=C(S2)C=C(C=C3)[N+](=O)[O-])CC

InChI

InChI=1S/C21H23N3O4S/c1-3-5-6-13-28-17-10-7-15(8-11-17)20(25)22-21-23(4-2)18-12-9-16(24(26)27)14-19(18)29-21/h7-12,14H,3-6,13H2,1-2H3