2-[(5-chloranyl-1,3-benzothiazol-2-yl)sulfanyl]-N-(4-ethoxy-2-nitro-phenyl)ethanamide

Systemtic Name: 2-[(5-chloranyl-1,3-benzothiazol-2-yl)sulfanyl]-N-(4-ethoxy-2-nitro-phenyl)ethanamide Openeye Name: 2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-N-(4-ethoxy-2-nitro-phenyl)acetamide CAS Name: 2-[(5-chloro-1,3-benzothiazol-2-yl)thio]-N-(4-ethoxy-2-nitrophenyl)acetamide IUPAC Name: 2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-N-(4-ethoxy-2-nitrophenyl)acetamide Traditional Name: 2-[(5-chloro-1,3-benzothiazol-2-yl)thio]-N-(4-ethoxy-2-nitro-phenyl)acetamide Formula: C17H14ClN3O4S2 MolecularWeight: 423.89376

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1)NC(=O)CSC2=NC3=C(S2)C=CC(=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC(=C(C=C1)NC(=O)CSC2=NC3=C(S2)C=CC(=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C17H14ClN3O4S2/c1-2-25-11-4-5-12(14(8-11)21(23)24)19-16(22)9-26-17-20-13-7-10(18)3-6-15(13)27-17/h3-8H,2,9H2,1H3,(H,19,22)