2-(5-bromanyl-1-benzothiophen-2-yl)ethyl 4-methylbenzenesulfonate

Systemtic Name: 2-(5-bromanyl-1-benzothiophen-2-yl)ethyl 4-methylbenzenesulfonate Openeye Name: 2-(5-bromobenzothiophen-2-yl)ethyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 2-(5-bromo-1-benzothiophen-2-yl)ethyl ester IUPAC Name: 2-(5-bromo-1-benzothiophen-2-yl)ethyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 2-(5-bromobenzothiophen-2-yl)ethyl ester Formula: C17H15BrO3S2 MolecularWeight: 411.3332

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCCC2=CC3=C(S2)C=CC(=C3)Br

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCCC2=CC3=C(S2)C=CC(=C3)Br

InChI

InChI=1S/C17H15BrO3S2/c1-12-2-5-16(6-3-12)23(19,20)21-9-8-15-11-13-10-14(18)4-7-17(13)22-15/h2-7,10-11H,8-9H2,1H3