N-[3-(2-ethoxyethyl)-6-nitro-1,3-benzothiazol-2-ylidene]pentanamide

Systemtic Name: N-[3-(2-ethoxyethyl)-6-nitro-1,3-benzothiazol-2-ylidene]pentanamide Openeye Name: N-[3-(2-ethoxyethyl)-6-nitro-1,3-benzothiazol-2-ylidene]pentanamide CAS Name: N-[3-(2-ethoxyethyl)-6-nitro-1,3-benzothiazol-2-ylidene]pentanamide IUPAC Name: N-[3-(2-ethoxyethyl)-6-nitro-1,3-benzothiazol-2-ylidene]pentanamide Traditional Name: N-[3-(2-ethoxyethyl)-6-nitro-1,3-benzothiazol-2-ylidene]valeramide Formula: C16H21N3O4S MolecularWeight: 351.42064

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)N=C1N(C2=C(S1)C=C(C=C2)[N+](=O)[O-])CCOCC

Isomeric SMILES

CCCCC(=O)N=C1N(C2=C(S1)C=C(C=C2)[N+](=O)[O-])CCOCC

InChI

InChI=1S/C16H21N3O4S/c1-3-5-6-15(20)17-16-18(9-10-23-4-2)13-8-7-12(19(21)22)11-14(13)24-16/h7-8,11H,3-6,9-10H2,1-2H3