[1-[(3-chloranyl-6-nitro-1-benzothiophen-2-yl)carbonyl]-2,2,4-trimethyl-quinolin-6-yl] 3-chloranyl-6-nitro-1-benzothiophene-2-carboxylate

Systemtic Name: [1-[(3-chloranyl-6-nitro-1-benzothiophen-2-yl)carbonyl]-2,2,4-trimethyl-quinolin-6-yl] 3-chloranyl-6-nitro-1-benzothiophene-2-carboxylate Openeye Name: [1-(3-chloro-6-nitro-benzothiophene-2-carbonyl)-2,2,4-trimethyl-6-quinolyl] 3-chloro-6-nitro-benzothiophene-2-carboxylate CAS Name: 3-chloro-6-nitro-1-benzothiophene-2-carboxylic acid [1-[(3-chloro-6-nitro-1-benzothiophen-2-yl)-oxomethyl]-2,2,4-trimethyl-6-quinolinyl] ester IUPAC Name: [1-(3-chloro-6-nitro-1-benzothiophene-2-carbonyl)-2,2,4-trimethylquinolin-6-yl] 3-chloro-6-nitro-1-benzothiophene-2-carboxylate Traditional Name: 3-chloro-6-nitro-benzothiophene-2-carboxylic acid [1-(3-chloro-6-nitro-benzothiophene-2-carbonyl)-2,2,4-trimethyl-6-quinolyl] ester Formula: C30H19Cl2N3O7S2 MolecularWeight: 668.52376

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(N(C2=C1C=C(C=C2)OC(=O)C3=C(C4=C(S3)C=C(C=C4)[N+](=O)[O-])Cl)C(=O)C5=C(C6=C(S5)C=C(C=C6)[N+](=O)[O-])Cl)(C)C

Isomeric SMILES

CC1=CC(N(C2=C1C=C(C=C2)OC(=O)C3=C(C4=C(S3)C=C(C=C4)[N+](=O)[O-])Cl)C(=O)C5=C(C6=C(S5)C=C(C=C6)[N+](=O)[O-])Cl)(C)C

InChI

InChI=1S/C30H19Cl2N3O7S2/c1-14-13-30(2,3)33(28(36)26-24(31)18-7-4-15(34(38)39)10-22(18)43-26)21-9-6-17(12-20(14)21)42-29(37)27-25(32)19-8-5-16(35(40)41)11-23(19)44-27/h4-13H,1-3H3