ethyl 6-methylsulfonyl-7-[2-(oxan-2-yloxy)ethyl]thieno[3,2-e]indole-2-carboxylate

Systemtic Name: ethyl 6-methylsulfonyl-7-[2-(oxan-2-yloxy)ethyl]thieno[3,2-e]indole-2-carboxylate Openeye Name: ethyl 6-methylsulfonyl-7-(2-tetrahydropyran-2-yloxyethyl)thieno[3,2-e]indole-2-carboxylate CAS Name: 6-methylsulfonyl-7-[2-(2-oxanyloxy)ethyl]-2-thieno[3,2-e]indolecarboxylic acid ethyl ester IUPAC Name: ethyl 6-methylsulfonyl-7-[2-(oxan-2-yloxy)ethyl]thieno[3,2-e]indole-2-carboxylate Traditional Name: 6-mesyl-7-(2-tetrahydropyran-2-yloxyethyl)thien[3,2-e]indole-2-carboxylic acid ethyl ester Formula: C21H25NO6S2 MolecularWeight: 451.5563

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(S1)C=CC3=C2C=C(N3S(=O)(=O)C)CCOC4CCCCO4

Isomeric SMILES

CCOC(=O)C1=CC2=C(S1)C=CC3=C2C=C(N3S(=O)(=O)C)CCOC4CCCCO4

InChI

InChI=1S/C21H25NO6S2/c1-3-26-21(23)19-13-16-15-12-14(9-11-28-20-6-4-5-10-27-20)22(30(2,24)25)17(15)7-8-18(16)29-19/h7-8,12-13,20H,3-6,9-11H2,1-2H3