N-[3-(1,3-benzoxazol-2-yl)-2-methyl-phenyl]-3-chloranyl-7-nitro-1-benzothiophene-2-carboxamide

Systemtic Name: N-[3-(1,3-benzoxazol-2-yl)-2-methyl-phenyl]-3-chloranyl-7-nitro-1-benzothiophene-2-carboxamide Openeye Name: N-[3-(1,3-benzoxazol-2-yl)-2-methyl-phenyl]-3-chloro-7-nitro-benzothiophene-2-carboxamide CAS Name: N-[3-(1,3-benzoxazol-2-yl)-2-methylphenyl]-3-chloro-7-nitro-1-benzothiophene-2-carboxamide IUPAC Name: N-[3-(1,3-benzoxazol-2-yl)-2-methylphenyl]-3-chloro-7-nitro-1-benzothiophene-2-carboxamide Traditional Name: N-[3-(1,3-benzoxazol-2-yl)-2-methyl-phenyl]-3-chloro-7-nitro-benzothiophene-2-carboxamide Formula: C23H14ClN3O4S MolecularWeight: 463.89296

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1NC(=O)C2=C(C3=C(S2)C(=CC=C3)[N+](=O)[O-])Cl)C4=NC5=CC=CC=C5O4

Isomeric SMILES

CC1=C(C=CC=C1NC(=O)C2=C(C3=C(S2)C(=CC=C3)[N+](=O)[O-])Cl)C4=NC5=CC=CC=C5O4

InChI

InChI=1S/C23H14ClN3O4S/c1-12-13(23-26-16-8-2-3-11-18(16)31-23)6-4-9-15(12)25-22(28)21-19(24)14-7-5-10-17(27(29)30)20(14)32-21/h2-11H,1H3,(H,25,28)