3-chloranyl-N-[3-methoxy-4-(2-oxidanylidenechromen-3-yl)phenyl]-7-nitro-1-benzothiophene-2-carboxamide

Systemtic Name: 3-chloranyl-N-[3-methoxy-4-(2-oxidanylidenechromen-3-yl)phenyl]-7-nitro-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-N-[3-methoxy-4-(2-oxochromen-3-yl)phenyl]-7-nitro-benzothiophene-2-carboxamide CAS Name: 3-chloro-N-[3-methoxy-4-(2-oxo-1-benzopyran-3-yl)phenyl]-7-nitro-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-N-[3-methoxy-4-(2-oxochromen-3-yl)phenyl]-7-nitro-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-N-[4-(2-ketochromen-3-yl)-3-methoxy-phenyl]-7-nitro-benzothiophene-2-carboxamide Formula: C25H15ClN2O6S MolecularWeight: 506.9144

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)NC(=O)C2=C(C3=C(S2)C(=CC=C3)[N+](=O)[O-])Cl)C4=CC5=CC=CC=C5OC4=O

Isomeric SMILES

COC1=C(C=CC(=C1)NC(=O)C2=C(C3=C(S2)C(=CC=C3)[N+](=O)[O-])Cl)C4=CC5=CC=CC=C5OC4=O

InChI

InChI=1S/C25H15ClN2O6S/c1-33-20-12-14(9-10-15(20)17-11-13-5-2-3-8-19(13)34-25(17)30)27-24(29)23-21(26)16-6-4-7-18(28(31)32)22(16)35-23/h2-12H,1H3,(H,27,29)