(2,2,4-trimethyl-1H-quinolin-6-yl) 3-chloranyl-6-nitro-1-benzothiophene-2-carboxylate

Systemtic Name: (2,2,4-trimethyl-1H-quinolin-6-yl) 3-chloranyl-6-nitro-1-benzothiophene-2-carboxylate Openeye Name: (2,2,4-trimethyl-1H-quinolin-6-yl) 3-chloro-6-nitro-benzothiophene-2-carboxylate CAS Name: 3-chloro-6-nitro-1-benzothiophene-2-carboxylic acid (2,2,4-trimethyl-1H-quinolin-6-yl) ester IUPAC Name: (2,2,4-trimethyl-1H-quinolin-6-yl) 3-chloro-6-nitro-1-benzothiophene-2-carboxylate Traditional Name: 3-chloro-6-nitro-benzothiophene-2-carboxylic acid (2,2,4-trimethyl-1H-quinolin-6-yl) ester Formula: C21H17ClN2O4S MolecularWeight: 428.88868

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(NC2=C1C=C(C=C2)OC(=O)C3=C(C4=C(S3)C=C(C=C4)[N+](=O)[O-])Cl)(C)C

Isomeric SMILES

CC1=CC(NC2=C1C=C(C=C2)OC(=O)C3=C(C4=C(S3)C=C(C=C4)[N+](=O)[O-])Cl)(C)C

InChI

InChI=1S/C21H17ClN2O4S/c1-11-10-21(2,3)23-16-7-5-13(9-15(11)16)28-20(25)19-18(22)14-6-4-12(24(26)27)8-17(14)29-19/h4-10,23H,1-3H3