(2-chloranyl-7-methyl-quinolin-3-yl)methyl 5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate

Systemtic Name: (2-chloranyl-7-methyl-quinolin-3-yl)methyl 5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Openeye Name: (2-chloro-7-methyl-3-quinolyl)methyl 5-methyl-4,5,6,7-tetrahydrobenzothiophene-2-carboxylate CAS Name: 5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylic acid (2-chloro-7-methyl-3-quinolinyl)methyl ester IUPAC Name: (2-chloro-7-methylquinolin-3-yl)methyl 5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Traditional Name: 5-methyl-4,5,6,7-tetrahydrobenzothiophene-2-carboxylic acid (2-chloro-7-methyl-3-quinolyl)methyl ester Formula: C21H20ClNO2S MolecularWeight: 385.907

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)C=C(S2)C(=O)OCC3=C(N=C4C=C(C=CC4=C3)C)Cl

Isomeric SMILES

CC1CCC2=C(C1)C=C(S2)C(=O)OCC3=C(N=C4C=C(C=CC4=C3)C)Cl

InChI

InChI=1S/C21H20ClNO2S/c1-12-4-6-18-15(7-12)10-19(26-18)21(24)25-11-16-9-14-5-3-13(2)8-17(14)23-20(16)22/h3,5,8-10,12H,4,6-7,11H2,1-2H3