N-[2-(1,3-benzothiazol-2-yl)ethyl]-4-ethoxy-5-methoxy-2-nitro-benzamide

Systemtic Name: N-[2-(1,3-benzothiazol-2-yl)ethyl]-4-ethoxy-5-methoxy-2-nitro-benzamide Openeye Name: N-[2-(1,3-benzothiazol-2-yl)ethyl]-4-ethoxy-5-methoxy-2-nitro-benzamide CAS Name: N-[2-(1,3-benzothiazol-2-yl)ethyl]-4-ethoxy-5-methoxy-2-nitrobenzamide IUPAC Name: N-[2-(1,3-benzothiazol-2-yl)ethyl]-4-ethoxy-5-methoxy-2-nitrobenzamide Traditional Name: N-[2-(1,3-benzothiazol-2-yl)ethyl]-4-ethoxy-5-methoxy-2-nitro-benzamide Formula: C19H19N3O5S MolecularWeight: 401.43626

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C(=C1)[N+](=O)[O-])C(=O)NCCC2=NC3=CC=CC=C3S2)OC

Isomeric SMILES

CCOC1=C(C=C(C(=C1)[N+](=O)[O-])C(=O)NCCC2=NC3=CC=CC=C3S2)OC

InChI

InChI=1S/C19H19N3O5S/c1-3-27-16-11-14(22(24)25)12(10-15(16)26-2)19(23)20-9-8-18-21-13-6-4-5-7-17(13)28-18/h4-7,10-11H,3,8-9H2,1-2H3,(H,20,23)