(3-chloranyl-6-nitro-1-benzothiophen-2-yl)-(6-ethoxy-2,2,4-trimethyl-quinolin-1-yl)methanone

Systemtic Name: (3-chloranyl-6-nitro-1-benzothiophen-2-yl)-(6-ethoxy-2,2,4-trimethyl-quinolin-1-yl)methanone Openeye Name: (3-chloro-6-nitro-benzothiophen-2-yl)-(6-ethoxy-2,2,4-trimethyl-1-quinolyl)methanone CAS Name: (3-chloro-6-nitro-1-benzothiophen-2-yl)-(6-ethoxy-2,2,4-trimethyl-1-quinolinyl)methanone IUPAC Name: (3-chloro-6-nitro-1-benzothiophen-2-yl)-(6-ethoxy-2,2,4-trimethylquinolin-1-yl)methanone Traditional Name: (3-chloro-6-nitro-benzothiophen-2-yl)-(6-ethoxy-2,2,4-trimethyl-1-quinolyl)methanone Formula: C23H21ClN2O4S MolecularWeight: 456.94184

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N(C(C=C2C)(C)C)C(=O)C3=C(C4=C(S3)C=C(C=C4)[N+](=O)[O-])Cl

Isomeric SMILES

CCOC1=CC2=C(C=C1)N(C(C=C2C)(C)C)C(=O)C3=C(C4=C(S3)C=C(C=C4)[N+](=O)[O-])Cl

InChI

InChI=1S/C23H21ClN2O4S/c1-5-30-15-7-9-18-17(11-15)13(2)12-23(3,4)25(18)22(27)21-20(24)16-8-6-14(26(28)29)10-19(16)31-21/h6-12H,5H2,1-4H3