3-chloranyl-N-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-7-nitro-1-benzothiophene-2-carboxamide

Systemtic Name: 3-chloranyl-N-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-7-nitro-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-N-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-7-nitro-benzothiophene-2-carboxamide CAS Name: 3-chloro-N-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-7-nitro-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-N-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-7-nitro-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-N-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-7-nitro-benzothiophene-2-carboxamide Formula: C23H14ClN3O4S MolecularWeight: 463.89296

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(O2)C3=CC=C(C=C3)NC(=O)C4=C(C5=C(S4)C(=CC=C5)[N+](=O)[O-])Cl

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(O2)C3=CC=C(C=C3)NC(=O)C4=C(C5=C(S4)C(=CC=C5)[N+](=O)[O-])Cl

InChI

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