N-[4-(5-butan-2-yl-1,3-benzoxazol-2-yl)phenyl]-3-chloranyl-7-nitro-1-benzothiophene-2-carboxamide

Systemtic Name: N-[4-(5-butan-2-yl-1,3-benzoxazol-2-yl)phenyl]-3-chloranyl-7-nitro-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-7-nitro-N-[4-(5-sec-butyl-1,3-benzoxazol-2-yl)phenyl]benzothiophene-2-carboxamide CAS Name: N-[4-(5-butan-2-yl-1,3-benzoxazol-2-yl)phenyl]-3-chloro-7-nitro-1-benzothiophene-2-carboxamide IUPAC Name: N-[4-(5-butan-2-yl-1,3-benzoxazol-2-yl)phenyl]-3-chloro-7-nitro-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-7-nitro-N-[4-(5-sec-butyl-1,3-benzoxazol-2-yl)phenyl]benzothiophene-2-carboxamide Formula: C26H20ClN3O4S MolecularWeight: 505.9727

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC2=C(C=C1)OC(=N2)C3=CC=C(C=C3)NC(=O)C4=C(C5=C(S4)C(=CC=C5)[N+](=O)[O-])Cl

Isomeric SMILES

CCC(C)C1=CC2=C(C=C1)OC(=N2)C3=CC=C(C=C3)NC(=O)C4=C(C5=C(S4)C(=CC=C5)[N+](=O)[O-])Cl

InChI

InChI=1S/C26H20ClN3O4S/c1-3-14(2)16-9-12-21-19(13-16)29-26(34-21)15-7-10-17(11-8-15)28-25(31)24-22(27)18-5-4-6-20(30(32)33)23(18)35-24/h4-14H,3H2,1-2H3,(H,28,31)